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

Systemtic Name: [1-(2-cyanoethyl)-2-methyl-4-oxidanylidene-pyridin-3-yl] benzoate Openeye Name: [1-(2-cyanoethyl)-2-methyl-4-oxo-3-pyridyl] benzoate CAS Name: benzoic acid [1-(2-cyanoethyl)-2-methyl-4-oxo-3-pyridinyl] ester IUPAC Name: [1-(2-cyanoethyl)-2-methyl-4-oxopyridin-3-yl] benzoate Traditional Name: benzoic acid [1-(2-cyanoethyl)-4-keto-2-methyl-3-pyridyl] ester Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CN1CCC#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=O)C=CN1CCC#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O3/c1-12-15(14(19)8-11-18(12)10-5-9-17)21-16(20)13-6-3-2-4-7-13/h2-4,6-8,11H,5,10H2,1H3