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Z02

Summary
Name:5-nitro-2-[(pyridin-2-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-2-ylmethyl)amino]benzamide
OpenEye OEToolkits1.7.05-nitro-2-(pyridin-2-ylmethylamino)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c2ccc(NCc1ncccc1)c(C(=O)N)c2
SMILES_CANONICALCACTVS3.370NC(=O)c1cc(ccc1NCc2ccccn2)[N+]([O-])=O
SMILESCACTVS3.370NC(=O)c1cc(ccc1NCc2ccccn2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]
SMILESOpenEye OEToolkits1.7.0c1ccnc(c1)CNc2ccc(cc2C(=O)N)[N+](=O)[O-]
InChIInChI1.03InChI=1S/C13H12N4O3/c14-13(18)11-7-10(17(19)20)4-5-12(11)16-8-9-3-1-2-6-15-9/h1-7,16H,8H2,(H2,14,18)
InChIKeyInChI1.03WHRVUTPLBUMBMW-UHFFFAOYSA-N

224931

數據於2024-09-11公開中

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