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GW9

Summary
Name:2-chloro-5-nitro-N-phenylbenzamide
Formula:C13 H9 Cl N2 O3
Formal charge:0
Formula weight:276.675 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-chloro-5-nitro-N-phenylbenzamide
OpenEye OEToolkits1.5.02-chloro-5-nitro-N-phenyl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1cc(ccc1Cl)[N+]([O-])=O)Nc2ccccc2
SMILES_CANONICALCACTVS3.341[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2
SMILESCACTVS3.341[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C13H9ClN2O3/c14-12-7-6-10(16(18)19)8-11(12)13(17)15-9-4-2-1-3-5-9/h1-8H,(H,15,17)
InChIKeyInChI1.03DNTSIBUQMRRYIU-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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