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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-3-allyloxy-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-3-allyloxy-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5/c1-3-10-26-19(23)16(13-21)11-14-4-5-17(18(12-14)25-2)27-20(24)15-6-8-22-9-7-15/h3-9,11-12H,1,10H2,2H3/b16-11+