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X73

Summary
Name:2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
Formula:C13 H11 Cl N4 O3
Formal charge:0
Formula weight:306.704 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
OpenEye OEToolkits1.7.02-[(6-chloropyridin-3-yl)methylamino]-5-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ncc(cc1)CNc2ccc([N+]([O-])=O)cc2C(=O)N
SMILES_CANONICALCACTVS3.370NC(=O)c1cc(ccc1NCc2ccc(Cl)nc2)[N+]([O-])=O
SMILESCACTVS3.370NC(=O)c1cc(ccc1NCc2ccc(Cl)nc2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(c(cc1[N+](=O)[O-])C(=O)N)NCc2ccc(nc2)Cl
InChIInChI1.03InChI=1S/C13H11ClN4O3/c14-12-4-1-8(7-17-12)6-16-11-3-2-9(18(20)21)5-10(11)13(15)19/h1-5,7,16H,6H2,(H2,15,19)
InChIKeyInChI1.03RLTGDIGMSOHYGA-UHFFFAOYSA-N

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PDB entries from 2026-02-04

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