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1SE

Summary
Name:N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide
Formula:C19 H14 N4 O5
Formal charge:0
Formula weight:378.338 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{4-[(4-hydroxy-3-nitrobenzoyl)amino]phenyl}pyridine-2-carboxamide
OpenEye OEToolkits1.7.6N-[4-[(3-nitro-4-oxidanyl-phenyl)carbonylamino]phenyl]pyridine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc2ccc(NC(=O)c1ccc(O)c([N+]([O-])=O)c1)cc2)c3ncccc3
InChIInChI1.03InChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26)
InChIKeyInChI1.03QFXQBOSIGGGQEW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2
SMILESCACTVS3.370Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O
SMILESOpenEye OEToolkits1.7.6c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O

227111

数据于2024-11-06公开中

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