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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-yl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-furyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(2-furanyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-(2-furyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CO2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CO2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H14N2O5/c1-26-19-12-14(11-16(13-22)20(24)18-3-2-10-27-18)4-5-17(19)28-21(25)15-6-8-23-9-7-15/h2-12H,1H3/b16-11+