N-(2-cyano-4-nitro-phenyl)-6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-6-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: N-(2-cyano-4-nitrophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-6-keto-1-[3-(trifluoromethyl)benzyl]nicotinamide Formula: C21H13F3N4O4 MolecularWeight: 442.34753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H13F3N4O4/c22-21(23,24)16-3-1-2-13(8-16)11-27-12-14(4-7-19(27)29)20(30)26-18-6-5-17(28(31)32)9-15(18)10-25/h1-9,12H,11H2,(H,26,30)