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

Systemtic Name: [4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-keto-3-(3-methoxyphenyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H18N2O5 MolecularWeight: 414.41012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=NC=C3)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H18N2O5/c1-29-20-5-3-4-18(14-20)23(27)19(15-25)12-16-6-7-21(22(13-16)30-2)31-24(28)17-8-10-26-11-9-17/h3-14H,1-2H3/b19-12+