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

Systemtic Name: [3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-3-carboxylate Openeye Name: [3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC=C1)OC(=O)C2=CN=CC=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O4/c1-2-23-17(21)15(11-19)9-13-5-3-7-16(10-13)24-18(22)14-6-4-8-20-12-14/h3-10,12H,2H2,1H3/b15-9+