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19Z

Summary
Name:2-[(4-hydroxybenzyl)amino]-5-nitrobenzamide
Formula:C14 H13 N3 O4
Formal charge:0
Formula weight:287.271 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(4-hydroxybenzyl)amino]-5-nitrobenzamide
OpenEye OEToolkits1.7.22-[(4-hydroxyphenyl)methylamino]-5-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[O-][N+](=O)c2ccc(NCc1ccc(O)cc1)c(C(=O)N)c2
SMILES_CANONICALCACTVS3.370NC(=O)c1cc(ccc1NCc2ccc(O)cc2)[N+]([O-])=O
SMILESCACTVS3.370NC(=O)c1cc(ccc1NCc2ccc(O)cc2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])O
InChIInChI1.03InChI=1S/C14H13N3O4/c15-14(19)12-7-10(17(20)21)3-6-13(12)16-8-9-1-4-11(18)5-2-9/h1-7,16,18H,8H2,(H2,15,19)
InChIKeyInChI1.03MCZVEVRDKZUUIN-UHFFFAOYSA-N

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PDB entries from 2026-02-04

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