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

Systemtic Name: [4-[(E)-3-(4-chlorophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-3-(4-chlorophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-3-(4-chlorophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H16ClNO4 MolecularWeight: 393.81974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClNO4/c1-27-21-14-15(2-8-19(25)16-4-6-18(23)7-5-16)3-9-20(21)28-22(26)17-10-12-24-13-11-17/h2-14H,1H3/b8-2+