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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-phenyl-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-keto-3-phenyl-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H16N2O4 MolecularWeight: 384.38414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C23H16N2O4/c1-28-21-14-16(13-19(15-24)22(26)17-5-3-2-4-6-17)7-8-20(21)29-23(27)18-9-11-25-12-10-18/h2-14H,1H3/b19-13+