[2-[5-cyano-6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]carbonyl-4-fluoranyl-phenyl] 4-cyanobenzoate

Systemtic Name: [2-[5-cyano-6-oxidanylidene-1-(phenylmethyl)pyridin-3-yl]carbonyl-4-fluoranyl-phenyl] 4-cyanobenzoate Openeye Name: [2-(1-benzyl-5-cyano-6-oxo-pyridine-3-carbonyl)-4-fluoro-phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[5-cyano-6-oxo-1-(phenylmethyl)-3-pyridinyl]-oxomethyl]-4-fluorophenyl] ester IUPAC Name: [2-(1-benzyl-5-cyano-6-oxopyridine-3-carbonyl)-4-fluorophenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(1-benzyl-5-cyano-6-keto-nicotinoyl)-4-fluoro-phenyl] ester Formula: C28H16FN3O4 MolecularWeight: 477.442743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)F)OC(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=C(C2=O)C#N)C(=O)C3=C(C=CC(=C3)F)OC(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H16FN3O4/c29-23-10-11-25(36-28(35)20-8-6-18(14-30)7-9-20)24(13-23)26(33)22-12-21(15-31)27(34)32(17-22)16-19-4-2-1-3-5-19/h1-13,17H,16H2