[4-[(E)-2-cyano-3-(2-methylphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methylphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(o-tolyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(2-methylphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methylphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-keto-3-(o-tolyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H18N2O4 MolecularWeight: 398.41072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=NC=C3)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=NC=C3)OC)/C#N

InChI

InChI=1S/C24H18N2O4/c1-16-5-3-4-6-20(16)23(27)19(15-25)13-17-7-8-21(22(14-17)29-2)30-24(28)18-9-11-26-12-10-18/h3-14H,1-2H3/b19-13+