NP-MRD: Showing NP-Card for 3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one (NP0007979)

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Record Information

Version

2.0

Created at

2020-12-09 05:35:34 UTC

Updated at

2021-07-15 16:59:05 UTC

NP-MRD ID

NP0007979

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one

Provided By

NPAtlas

Description

3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one belongs to the class of organic compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. 3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one is found in Burkholderia and Burkholderia cepacia. 3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one was first documented in 2008 (PMID: 18776654). Based on a literature review very few articles have been published on 3-chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242106053D          

 27 28  0  0  0  0            999 V2000
    2.5706    0.8353   -1.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556   -0.3110   -0.9354 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6909    0.0642    0.3436 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6302   -0.4099    1.3399 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486   -1.2846    2.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -1.9202    3.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5768   -1.3282    1.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041   -2.3021    2.4875 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4221   -0.5534    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918   -0.4464    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926   -1.5441   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -1.4314   -1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4336   -0.1814   -1.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7300    0.9181   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665    2.4973   -0.8599 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4566    0.7938   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    1.9583    0.3354 N   0  3  0  0  0  4  0  0  0  0  0  0
   -0.3539    2.7614   -0.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    2.2390    1.6627 O   0  5  0  0  0  1  0  0  0  0  0  0
    2.9522    0.6072   -2.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7284    1.5386   -1.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182    1.3098   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7206    1.1738    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6664   -0.1313    1.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1416   -2.5167   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4290   -2.2733   -1.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4191   -0.0629   -1.5843 H   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  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  9  3  1  0  0  0  0
 16 10  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  6  0  0  0
  4 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END


  Mrv1652306242106053D          

 27 28  0  0  0  0            999 V2000
    2.5706    0.8353   -1.5929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1556   -0.3110   -0.9354 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6909    0.0642    0.3436 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6302   -0.4099    1.3399 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9486   -1.2846    2.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4379   -1.9202    3.1948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5768   -1.3282    1.7276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7041   -2.3021    2.4875 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4221   -0.5534    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918   -0.4464    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5926   -1.5441   -0.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -1.4314   -1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4336   -0.1814   -1.1417 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7300    0.9181   -0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4665    2.4973   -0.8599 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4566    0.7938   -0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970    1.9583    0.3354 N   0  3  0  0  0  4  0  0  0  0  0  0
   -0.3539    2.7614   -0.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6449    2.2390    1.6627 O   0  5  0  0  0  1  0  0  0  0  0  0
    2.9522    0.6072   -2.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7284    1.5386   -1.6365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182    1.3098   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7206    1.1738    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6664   -0.1313    1.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1416   -2.5167   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4290   -2.2733   -1.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4191   -0.0629   -1.5843 H   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  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  9  3  1  0  0  0  0
 16 10  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  6  0  0  0
  4 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  CHG  2  17   1  19  -1
M  END
> <DATABASE_ID>
NP0007979

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]N1C(=O)C(Cl)=C(C2=C([H])C([H])=C([H])C(Cl)=C2[N+]([O-])=O)[C@]1([H])OC([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C11H8Cl2N2O4/c1-19-11-7(8(13)10(16)14-11)5-3-2-4-6(12)9(5)15(17)18/h2-4,11H,1H3,(H,14,16)/t11-/m0/s1

> <INCHI_KEY>
JBJAISKDFNUTNB-UHFFFAOYSA-N

> <FORMULA>
C11H8Cl2N2O4

> <MOLECULAR_WEIGHT>
303.1

> <EXACT_MASS>
301.9861121

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
26.544135046288886

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
({2-chloro-6-[(2S)-4-chloro-2-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]phenyl}nitro)-lambda1-oxidanyl

> <ALOGPS_LOGP>
2.45

> <JCHEM_LOGP>
2.3019039733333333

> <ALOGPS_LOGS>
-4.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.18134694712003

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.170021739906513

> <JCHEM_PKA_STRONGEST_BASIC>
-2.1192018520269054

> <JCHEM_POLAR_SURFACE_AREA>
81.47

> <JCHEM_REFRACTIVITY>
69.27190000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.74e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{2-chloro-6-[(2S)-4-chloro-2-methoxy-5-oxo-1,2-dihydropyrrol-3-yl]phenylnitro}-lambda1-oxidanyl

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0       2.571   0.835  -1.593  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.156  -0.311  -0.935  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.691   0.064   0.344  0.00  0.00           C+0
HETATM    4  N   UNK     0       2.630  -0.410   1.340  0.00  0.00           N+0
HETATM    5  C   UNK     0       1.949  -1.285   2.196  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.438  -1.920   3.195  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.577  -1.328   1.728  0.00  0.00           C+0
HETATM    8 Cl   UNK     0      -0.704  -2.302   2.487  0.00  0.00          Cl+0
HETATM    9  C   UNK     0       0.422  -0.553   0.671  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.892  -0.446   0.012  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.593  -1.544  -0.432  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.858  -1.431  -1.008  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.434  -0.181  -1.142  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.730   0.918  -0.696  0.00  0.00           C+0
HETATM   15 Cl   UNK     0      -3.466   2.497  -0.860  0.00  0.00          Cl+0
HETATM   16  C   UNK     0      -1.457   0.794  -0.118  0.00  0.00           C+0
HETATM   17  N   UNK     0      -0.797   1.958   0.335  0.00  0.00           N+1
HETATM   18  O   UNK     0      -0.354   2.761  -0.495  0.00  0.00           O+0
HETATM   19  O   UNK     0      -0.645   2.239   1.663  0.00  0.00           O-1
HETATM   20  H   UNK     0       2.952   0.607  -2.619  0.00  0.00           H+0
HETATM   21  H   UNK     0       1.728   1.539  -1.637  0.00  0.00           H+0
HETATM   22  H   UNK     0       3.418   1.310  -1.005  0.00  0.00           H+0
HETATM   23  H   UNK     0       1.721   1.174   0.437  0.00  0.00           H+0
HETATM   24  H   UNK     0       3.666  -0.131   1.403  0.00  0.00           H+0
HETATM   25  H   UNK     0      -1.142  -2.517  -0.325  0.00  0.00           H+0
HETATM   26  H   UNK     0      -3.429  -2.273  -1.362  0.00  0.00           H+0
HETATM   27  H   UNK     0      -4.419  -0.063  -1.584  0.00  0.00           H+0
CONECT    1    2   20   21   22                                             
CONECT    2    1    3                                                       
CONECT    3    2    4    9   23                                             
CONECT    4    3    5   24                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10    3                                                  
CONECT   10    9   11   16                                                  
CONECT   11   10   12   25                                                  
CONECT   12   11   13   26                                                  
CONECT   13   12   14   27                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   10                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    1                                                            
CONECT   21    1                                                            
CONECT   22    1                                                            
CONECT   23    3                                                            
CONECT   24    4                                                            
CONECT   25   11                                                            
CONECT   26   12                                                            
CONECT   27   13                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   56    0
END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₁₁H₈Cl₂N₂O₄

Average Mass

303.1000 Da

Monoisotopic Mass

301.98611 Da

IUPAC Name

({2-chloro-6-[(2S)-4-chloro-2-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]phenyl}nitro)-lambda1-oxidanyl

Traditional Name

{2-chloro-6-[(2S)-4-chloro-2-methoxy-5-oxo-1,2-dihydropyrrol-3-yl]phenylnitro}-lambda1-oxidanyl

CAS Registry Number

Not Available

SMILES

COC1NC(=O)C(Cl)=C1C1=C(C(Cl)=CC=C1)[N+]([O-])=O

InChI Identifier

InChI=1S/C11H8Cl2N2O4/c1-19-11-7(8(13)10(16)14-11)5-3-2-4-6(12)9(5)15(17)18/h2-4,11H,1H3,(H,14,16)

InChI Key

JBJAISKDFNUTNB-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Burkholderia	NPAtlas	18776654
Burkholderia cepacia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Nitrobenzenes

Direct Parent

Nitrobenzenes

Alternative Parents

Substituents

Nitrobenzene
Nitroaromatic compound
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Pyrroline
Carboxamide group
Lactam
C-nitro compound
Organic nitro compound
Secondary carboxylic acid amide
Propargyl-type 1,3-dipolar organic compound
Allyl-type 1,3-dipolar organic compound
Chloroalkene
Vinyl halide
Vinyl chloride
Haloalkene
Organoheterocyclic compound
Organic 1,3-dipolar compound
Carboxylic acid derivative
Azacycle
Organic oxoazanium
Organic zwitterion
Organohalogen compound
Organochloride
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organonitrogen compound
Organooxygen compound
Organic salt
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	2.45	ALOGPS
logP	2.3	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	8.17	ChemAxon
pKa (Strongest Basic)	-2.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	81.47 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	69.27 m³·mol⁻¹	ChemAxon
Polarizability	26.54 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA006203

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

28285636

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25014983

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Sultan Z, Park K, Lee SY, Park JK, Varughese T, Moon SS: Novel oxidized derivatives of antifungal pyrrolnitrin from the bacterium Burkholderia cepacia K87. J Antibiot (Tokyo). 2008 Jul;61(7):420-5. doi: 10.1038/ja.2008.58. [PubMed:18776654 ]

Showing NP-Card for 3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one (NP0007979)

MOL for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

3D MOL for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

3D SDF for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

3D-SDF for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

PDB for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

3D PDB for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

SMILES for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

INCHI for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

Structure for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)

3D Structure for NP0007979 (3-Chloro-4-(3-chloro-2-nitrophenyl)-5-methoxy-3-pyrrolin-2-one)