(1-cyano-2-methyl-prop-1-enyl) benzoate

Systemtic Name: (1-cyano-2-methyl-prop-1-enyl) benzoate Openeye Name: (1-cyano-2-methyl-prop-1-enyl) benzoate CAS Name: benzoic acid (1-cyano-2-methylprop-1-enyl) ester IUPAC Name: (1-cyano-2-methylprop-1-enyl) benzoate Traditional Name: benzoic acid (1-cyano-2-methyl-prop-1-enyl) ester Formula: C12H11NO2 MolecularWeight: 201.22124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2/c1-9(2)11(8-13)15-12(14)10-6-4-3-5-7-10/h3-7H,1-2H3