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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=CN1CC#N)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=O)C=CN1CC#N)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O3/c1-2-13-15(14(19)8-10-18(13)11-9-17)21-16(20)12-6-4-3-5-7-12/h3-8,10H,2,11H2,1H3