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Y5X

Summary
Name:2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide
Formula:C12 H7 Cl F N3 O3
Formal charge:0
Formula weight:295.654 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide
OpenEye OEToolkits2.0.72-chloranyl-~{N}-(5-fluoranylpyridin-3-yl)-5-nitro-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O
InChIInChI1.06InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18)
InChIKeyInChI1.06YYVSYARVIWSRBD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2cncc(F)c2
SMILESCACTVS3.385[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2cncc(F)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cnc2)F)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2cc(cnc2)F)Cl

220472

PDB entries from 2024-05-29

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