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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)C(F)(F)F

InChI

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