[3-(3-cyano-2-methyl-propanoyl)phenyl] ethanoate

Systemtic Name: [3-(3-cyano-2-methyl-propanoyl)phenyl] ethanoate Openeye Name: [3-(3-cyano-2-methyl-propanoyl)phenyl] acetate CAS Name: acetic acid [3-(3-cyano-2-methyl-1-oxopropyl)phenyl] ester IUPAC Name: [3-(3-cyano-2-methylpropanoyl)phenyl] acetate Traditional Name: acetic acid [3-(3-cyano-2-methyl-propanoyl)phenyl] ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)C(=O)C1=CC(=CC=C1)OC(=O)C

Isomeric SMILES

CC(CC#N)C(=O)C1=CC(=CC=C1)OC(=O)C

InChI

InChI=1S/C13H13NO3/c1-9(6-7-14)13(16)11-4-3-5-12(8-11)17-10(2)15/h3-5,8-9H,6H2,1-2H3