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X07

Summary
Name:5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
Formula:C13 H12 N4 O3
Formal charge:0
Formula weight:272.259 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
OpenEye OEToolkits1.7.05-nitro-2-(pyridin-3-ylmethylamino)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c2ccc(NCc1cccnc1)c(C(=O)N)c2
SMILES_CANONICALCACTVS3.370NC(=O)c1cc(ccc1NCc2cccnc2)[N+]([O-])=O
SMILESCACTVS3.370NC(=O)c1cc(ccc1NCc2cccnc2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.7.0c1cc(cnc1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C13H12N4O3/c14-13(18)11-6-10(17(19)20)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2,(H2,14,18)
InChIKeyInChI1.03YGOUPMYBESSSAI-UHFFFAOYSA-N

224004

PDB entries from 2024-08-21

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