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95C

Summary
Name:4-nitro-2-[(phenylacetyl)amino]benzamide
Formula:C15 H13 N3 O4
Formal charge:0
Formula weight:299.281 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-nitro-2-[(phenylacetyl)amino]benzamide
OpenEye OEToolkits2.0.64-nitro-2-(2-phenylethanoylamino)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(C(=O)N)ccc(cc1NC(Cc2ccccc2)=O)[N+]([O-])=O
InChIInChI1.03InChI=1S/C15H13N3O4/c16-15(20)12-7-6-11(18(21)22)9-13(12)17-14(19)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,16,20)(H,17,19)
InChIKeyInChI1.03YCAFMCMKNHYQFE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=O)c1ccc(cc1NC(=O)Cc2ccccc2)[N+]([O-])=O
SMILESCACTVS3.385NC(=O)c1ccc(cc1NC(=O)Cc2ccccc2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-]
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CC(=O)Nc2cc(ccc2C(=O)N)[N+](=O)[O-]

225158

PDB entries from 2024-09-18

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