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X75

Summary
Name:4-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
Formula:C13 H10 Cl2 N4 O3
Formal charge:0
Formula weight:341.15 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-chloro-2-{[(6-chloropyridin-3-yl)methyl]amino}-5-nitrobenzamide
OpenEye OEToolkits1.7.04-chloro-2-[(6-chloropyridin-3-yl)methylamino]-5-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ncc(cc1)CNc2cc(Cl)c([N+]([O-])=O)cc2C(=O)N
SMILES_CANONICALCACTVS3.370NC(=O)c1cc(c(Cl)cc1NCc2ccc(Cl)nc2)[N+]([O-])=O
SMILESCACTVS3.370NC(=O)c1cc(c(Cl)cc1NCc2ccc(Cl)nc2)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl
SMILESOpenEye OEToolkits1.7.0c1cc(ncc1CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl)Cl
InChIInChI1.03InChI=1S/C13H10Cl2N4O3/c14-9-4-10(8(13(16)20)3-11(9)19(21)22)17-5-7-1-2-12(15)18-6-7/h1-4,6,17H,5H2,(H2,16,20)
InChIKeyInChI1.03JGCFEPVKTSZCHG-UHFFFAOYSA-N

226707

PDB entries from 2024-10-30

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