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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=CC=C(C2=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=CC=C(C2=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

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