methyl 2-cyano-2-methyl-3-phenyl-propanoate

Systemtic Name: methyl 2-cyano-2-methyl-3-phenyl-propanoate Openeye Name: methyl 2-cyano-2-methyl-3-phenyl-propanoate CAS Name: 2-cyano-2-methyl-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-cyano-2-methyl-3-phenylpropanoate Traditional Name: 2-cyano-2-methyl-3-phenyl-propionic acid methyl ester Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C#N)C(=O)OC

Isomeric SMILES

CC(CC1=CC=CC=C1)(C#N)C(=O)OC

InChI

InChI=1S/C12H13NO2/c1-12(9-13,11(14)15-2)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3