[1-(2-cyanoethyl)-4-oxidanylidene-pyridin-3-yl] benzoate

Systemtic Name: [1-(2-cyanoethyl)-4-oxidanylidene-pyridin-3-yl] benzoate Openeye Name: [1-(2-cyanoethyl)-4-oxo-3-pyridyl] benzoate CAS Name: benzoic acid [1-(2-cyanoethyl)-4-oxo-3-pyridinyl] ester IUPAC Name: [1-(2-cyanoethyl)-4-oxopyridin-3-yl] benzoate Traditional Name: benzoic acid [1-(2-cyanoethyl)-4-keto-3-pyridyl] ester Formula: C15H12N2O3 MolecularWeight: 268.26738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CN(C=CC2=O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CN(C=CC2=O)CCC#N

InChI

InChI=1S/C15H12N2O3/c16-8-4-9-17-10-7-13(18)14(11-17)20-15(19)12-5-2-1-3-6-12/h1-3,5-7,10-11H,4,9H2