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

Systemtic Name: [4-[(E)-2-cyano-3-(4-fluorophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(4-fluorophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-(4-fluorophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H15FN2O4 MolecularWeight: 402.374603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15FN2O4/c1-29-21-13-15(2-7-20(21)30-23(28)17-8-10-26-11-9-17)12-18(14-25)22(27)16-3-5-19(24)6-4-16/h2-13H,1H3/b18-12+