ethyl 2-[5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-(1-benzyl-5-cyano-4H-pyridin-3-yl)-2-oxo-acetate CAS Name: 2-[5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzyl-5-cyano-4H-pyridin-3-yl)-2-oxoacetate Traditional Name: 2-(1-benzyl-5-cyano-4H-pyridin-3-yl)-2-keto-acetic acid ethyl ester Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=CN(C=C(C1)C#N)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(=O)C1=CN(C=C(C1)C#N)CC2=CC=CC=C2

InChI

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