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

Systemtic Name: [3-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-3-carboxylate Openeye Name: [3-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]phenyl] pyridine-3-carboxylate CAS Name: 3-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-3-carboxylate Traditional Name: nicotinic 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=CN=CC=C2)C#N

Isomeric SMILES

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

InChI

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