NP-MRD: Showing NP-Card for n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid (NP0301962)

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Record Information

Version

2.0

Created at

2022-09-10 15:13:17 UTC

Updated at

2022-09-10 15:13:17 UTC

NP-MRD ID

NP0301962

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid

Description

N-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution. Based on a literature review very few articles have been published on N-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102217132D          

 40 41  0  0  0  0            999 V2000
   -2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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 10  8  1  4  0  0  0
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 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 16 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309102217132D          

 40 41  0  0  0  0            999 V2000
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   -1.4289   -5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6191   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0392   -1.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4517   -1.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8997   -2.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0712   -3.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  8  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  4  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 21 20  1  4  0  0  0
 21 22  2  0  0  0  0
 23 22  1  4  0  0  0
 23 24  2  0  0  0  0
 25 24  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  2  0  0  0  0
 20 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 16 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0301962

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCC(C)C=C(C)C=C(C)C(O)=NC1=CC(O)=C(C=CC=CC=CC(=O)N=C2C(=O)CCC2=O)C(Cl)=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C31H35ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,37,39H,5-6,11,14-15H2,1-4H3,(H,33,40)

> <INCHI_KEY>
GVRSHCDEQGJRPD-UHFFFAOYSA-N

> <FORMULA>
C31H35ClN2O6

> <MOLECULAR_WEIGHT>
567.08

> <EXACT_MASS>
566.2183646

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
62.95189529928645

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid

> <JCHEM_LOGP>
7.569942248943549

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.895689735649958

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.8454338194629436

> <JCHEM_PKA_STRONGEST_BASIC>
15.762578044978405

> <JCHEM_POLAR_SURFACE_AREA>
136.62

> <JCHEM_REFRACTIVITY>
164.229

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667 -10.780   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000 -10.780   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334 -13.090   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667 -10.780   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001 -13.090   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335 -10.780   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668 -13.090   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002 -10.780   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.336 -11.550   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       8.002  -9.240   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       9.336  -8.470   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.669  -6.160   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.337  -6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.004  -6.160   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      18.672  -6.160   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.005  -6.930   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      21.339  -6.160   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      22.673  -6.930   0.000  0.00  0.00           O+0
HETATM   29  N   UNK     0      21.339  -4.620   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      22.673  -3.850   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      22.834  -2.318   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      21.689  -1.288   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      24.340  -1.998   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      25.110  -3.332   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      24.079  -4.476   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      24.400  -5.983   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      12.003  -8.470   0.000  0.00  0.00           C+0
HETATM   38 Cl   UNK     0      13.337  -9.240   0.000  0.00  0.00          Cl+0
HETATM   39  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      10.669 -10.780   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   39                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   37                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   30   36                                                  
CONECT   36   35                                                            
CONECT   37   20   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   16   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Value	Source
N-(3-Chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidate	Generator

Chemical Formula

C₃₁H₃₅ClN₂O₆

Average Mass

567.0800 Da

Monoisotopic Mass

566.21836 Da

IUPAC Name

N-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid

Traditional Name

N-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid

CAS Registry Number

Not Available

SMILES

CCCCC(C)C=C(C)C=C(C)C(O)=NC1=CC(O)=C(C=CC=CC=CC(=O)N=C2C(=O)CCC2=O)C(Cl)=C1O

InChI Identifier

InChI=1S/C31H35ClN2O6/c1-5-6-11-19(2)16-20(3)17-21(4)31(40)33-23-18-26(37)22(28(32)30(23)39)12-9-7-8-10-13-27(38)34-29-24(35)14-15-25(29)36/h7-10,12-13,16-19,37,39H,5-6,11,14-15H2,1-4H3,(H,33,40)

InChI Key

GVRSHCDEQGJRPD-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Anilides

Direct Parent

Anilides

Alternative Parents

Substituents

1,4-dihydroxy-2-halobenzenoid
Anilide
Chlorohydroquinone
N-arylamide
Styrene
2-chlorophenol
3-chlorophenol
Hydroquinone
2-halophenol
3-halophenol
1-hydroxy-2-unsubstituted benzenoid
Phenol
Halobenzene
Chlorobenzene
Aryl halide
Aryl chloride
Secondary ketimine
Azomethine
Cyclic ketone
N-acylimine
Secondary carboxylic acid amide
Ketone
Carboxamide group
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organochloride
Organohalogen compound
Carbonyl group
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	7.57	ChemAxon
pKa (Strongest Acidic)	-0.85	ChemAxon
pKa (Strongest Basic)	15.76	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	136.62 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	164.23 m³·mol⁻¹	ChemAxon
Polarizability	62.95 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162874319

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid (NP0301962)

MOL for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

3D MOL for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

3D SDF for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

3D-SDF for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

PDB for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

3D PDB for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

SMILES for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

INCHI for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

Structure for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)

3D Structure for NP0301962 (n-(3-chloro-4-{6-[(2,5-dioxocyclopentylidene)carbamoyl]hexa-1,3,5-trien-1-yl}-2,5-dihydroxyphenyl)-2,4,6-trimethyldeca-2,4-dienimidic acid)