[1-cyano-1-(2-methylphenyl)ethyl] ethaneperoxoate

Systemtic Name: [1-cyano-1-(2-methylphenyl)ethyl] ethaneperoxoate Openeye Name: [1-cyano-1-(o-tolyl)ethyl] peroxyacetate CAS Name: ethaneperoxoic acid [1-cyano-1-(2-methylphenyl)ethyl] ester IUPAC Name: [1-cyano-1-(2-methylphenyl)ethyl] ethaneperoxoate Traditional Name: peracetic acid [1-cyano-1-(o-tolyl)ethyl] ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)(C#N)OOC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(C)(C#N)OOC(=O)C

InChI

InChI=1S/C12H13NO3/c1-9-6-4-5-7-11(9)12(3,8-13)16-15-10(2)14/h4-7H,1-3H3