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

Systemtic Name: [1-(2-cyanoethyl)-2-ethyl-4-oxidanylidene-pyridin-3-yl] benzoate Openeye Name: [1-(2-cyanoethyl)-2-ethyl-4-oxo-3-pyridyl] benzoate CAS Name: benzoic acid [1-(2-cyanoethyl)-2-ethyl-4-oxo-3-pyridinyl] ester IUPAC Name: [1-(2-cyanoethyl)-2-ethyl-4-oxopyridin-3-yl] benzoate Traditional Name: benzoic acid [1-(2-cyanoethyl)-2-ethyl-4-keto-3-pyridyl] ester Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=CN1CCC#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=O)C=CN1CCC#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H16N2O3/c1-2-14-16(15(20)9-12-19(14)11-6-10-18)22-17(21)13-7-4-3-5-8-13/h3-5,7-9,12H,2,6,11H2,1H3