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

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-4-carboxylate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [3-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O4/c1-22-16(20)14(11-18)9-12-3-2-4-15(10-12)23-17(21)13-5-7-19-8-6-13/h2-10H,1H3/b14-9+