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

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethoxy)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC=NC=C2)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6/c1-25-9-10-27-19(23)16(13-21)11-14-3-4-17(18(12-14)26-2)28-20(24)15-5-7-22-8-6-15/h3-8,11-12H,9-10H2,1-2H3/b16-11+