(1-cyano-1-phenyl-propyl) ethaneperoxoate

Systemtic Name: (1-cyano-1-phenyl-propyl) ethaneperoxoate Openeye Name: (1-cyano-1-phenyl-propyl) peroxyacetate CAS Name: ethaneperoxoic acid (1-cyano-1-phenylpropyl) ester IUPAC Name: (1-cyano-1-phenylpropyl) ethaneperoxoate Traditional Name: peracetic acid (1-cyano-1-phenyl-propyl) ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-3-12(9-13,16-15-10(2)14)11-7-5-4-6-8-11/h4-8H,3H2,1-2H3