(phenylmethyl) 4-cyano-2-methylidene-butanoate

Systemtic Name: (phenylmethyl) 4-cyano-2-methylidene-butanoate Openeye Name: benzyl 4-cyano-2-methylene-butanoate CAS Name: 4-cyano-2-methylenebutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-cyano-2-methylidenebutanoate Traditional Name: 2-(2-cyanoethyl)acrylic acid benzyl ester Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CCC#N)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

C=C(CCC#N)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H13NO2/c1-11(6-5-9-14)13(15)16-10-12-7-3-2-4-8-12/h2-4,7-8H,1,5-6,10H2