(phenylmethyl) 3-methyl-2-oxidanylidene-but-3-enoate

Systemtic Name: (phenylmethyl) 3-methyl-2-oxidanylidene-but-3-enoate Openeye Name: benzyl 3-methyl-2-oxo-but-3-enoate CAS Name: 3-methyl-2-oxo-3-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-2-oxobut-3-enoate Traditional Name: 2-keto-3-methyl-but-3-enoic acid benzyl ester Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=C)C(=O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H12O3/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3