NP-MRD: Showing NP-Card for n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid (NP0199297)

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Record Information

Version

2.0

Created at

2022-09-04 17:55:25 UTC

Updated at

2022-09-04 17:55:25 UTC

NP-MRD ID

NP0199297

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid

Description

Chloramphenicol 3-acetate, also known as 3'-O-acetylchloramphenicol, 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. n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid is found in Apis cerana. n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid was first documented in 2020 (PMID: 31606710). Based on a literature review very few articles have been published on chloramphenicol 3-acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 37  0  0  0  0  0  0  0  0999 V2000
   -3.5651    3.5346    1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4271    2.6859    0.5007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510    3.0883    0.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910    1.4788   -0.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9808    0.4535   -0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1922   -0.4859    0.2295 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5527   -1.4982   -0.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782   -2.4370   -1.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6358   -2.5103   -0.8720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207   -3.4624   -2.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5163   -3.4329   -3.6385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9881   -5.0596   -1.3315 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2089   -0.1083    1.2398 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6027    0.8021    2.1685 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1950    0.0832    0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9771   -1.0509    0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2740   -0.9467    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.2739   -0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    0.3712   -0.6581 N   0  0  0  0  0  4  0  0  0  0  0  0
    5.7577    1.4710   -0.8727 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664   -0.7548   -0.8870 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.1025    1.3938    0.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771    1.2909    0.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2468    4.5919    1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9249    3.1799    1.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4084    3.5121    0.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7616   -0.1979   -1.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3682    0.8151   -1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9636   -1.1510    0.7738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9149   -2.8992    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3678   -3.2997   -2.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1355   -1.0922    1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3130    0.6487    3.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5133   -2.0103    0.6817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8788   -1.8339   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5361    2.3723   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197    2.1839    0.6825 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
  6 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 22  1  0
 22 23  2  0
 18 19  1  0
 19 21  1  0
 19 20  2  0
 23 15  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  1
  9 30  1  0
 10 31  1  0
 13 32  1  1
 14 33  1  0
 16 34  1  0
 17 35  1  0
 22 36  1  0
 23 37  1  0
M  CHG  2  19   1  21  -1
M  END


  Mrv1652309042219552D          

 23 23  0  0  1  0            999 V2000
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   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
    2.8579   -6.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   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
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  2  0  0  0  0
  8  9  1  4  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 15 23  1  0  0  0  0
M  CHG  2  19   1  21  -1
M  END
> <DATABASE_ID>
NP0199297

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC[C@@H](N=C(O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1

> <INCHI_KEY>
VVOIFRARHIZCJD-GHMZBOCLSA-N

> <FORMULA>
C13H14Cl2N2O6

> <MOLECULAR_WEIGHT>
365.16

> <EXACT_MASS>
364.0228916

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
32.915453197165014

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[(1R,2R)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid

> <JCHEM_LOGP>
2.139433025333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.595509953879546

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.168596141162511

> <JCHEM_PKA_STRONGEST_BASIC>
0.10362997356504722

> <JCHEM_POLAR_SURFACE_AREA>
122.26000000000002

> <JCHEM_REFRACTIVITY>
81.8697

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
N-[(1R,2R)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       8.002  -9.240   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   11 Cl   UNK     0       5.335 -12.320   0.000  0.00  0.00          Cl+0
HETATM   12 Cl   UNK     0       8.002 -12.320   0.000  0.00  0.00          Cl+0
HETATM   13  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.336  -5.390   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      14.670 -10.010   0.000  0.00  0.00           N+1
HETATM   20  O   UNK     0      16.004  -9.240   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      14.670 -11.550   0.000  0.00  0.00           O-1
HETATM   22  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    6   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   23                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18   23                                                       
CONECT   23   22   15                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
Chloramphenicol 3-acetic acid	Generator
3'-O-Acetylchloramphenicol	MeSH
3-Acetylchloramphenicol	MeSH

Chemical Formula

C₁₃H₁₄Cl₂N₂O₆

Average Mass

365.1600 Da

Monoisotopic Mass

364.02289 Da

IUPAC Name

N-[(1R,2R)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid

Traditional Name

N-[(1R,2R)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid

CAS Registry Number

Not Available

SMILES

CC(=O)OC[C@@H](N=C(O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O

InChI Identifier

InChI=1S/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1

InChI Key

VVOIFRARHIZCJD-GHMZBOCLSA-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

Species Name	Source	Reference
Apis cerana	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
Carboxylic acid ester
C-nitro compound
Secondary alcohol
Organic nitro compound
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organic oxoazanium
Allyl-type 1,3-dipolar organic compound
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Organonitrogen compound
Organochloride
Carbonyl group
Organohalogen compound
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organooxygen compound
Organic oxide
Aromatic alcohol
Organic zwitterion
Alcohol
Alkyl chloride
Alkyl halide
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

acetate ester (CHEBI:16730 )

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	2.14	ChemAxon
pKa (Strongest Acidic)	2.17	ChemAxon
pKa (Strongest Basic)	0.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	122.26 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	81.87 m³·mol⁻¹	ChemAxon
Polarizability	32.92 Å³	ChemAxon
Number of Rings	1	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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

75742

KEGG Compound ID

C03601

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

83940

PDB ID

Not Available

ChEBI ID

16730

Good Scents ID

Not Available

References

General References

Zhang J, Zhao R, Cao L, Lei Y, Liu J, Feng J, Fu W, Li X, Li B: High-efficiency biodegradation of chloramphenicol by enriched bacterial consortia: Kinetics study and bacterial community characterization. J Hazard Mater. 2020 Feb 15;384:121344. doi: 10.1016/j.jhazmat.2019.121344. Epub 2019 Sep 30. [PubMed:31606710 ]
LOTUS database [Link]

Showing NP-Card for n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid (NP0199297)

MOL for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

3D MOL for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

3D SDF for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

3D-SDF for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

PDB for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

3D PDB for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

SMILES for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

INCHI for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

Structure for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)

3D Structure for NP0199297 (n-[(1r,2r)-3-(acetyloxy)-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2,2-dichloroethanimidic acid)