methyl 3-(2-cyanopropan-2-yl)-5-methyl-benzoate

Systemtic Name: methyl 3-(2-cyanopropan-2-yl)-5-methyl-benzoate Openeye Name: methyl 3-(1-cyano-1-methyl-ethyl)-5-methyl-benzoate CAS Name: 3-(2-cyanopropan-2-yl)-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(2-cyanopropan-2-yl)-5-methylbenzoate Traditional Name: 3-(1-cyano-1-methyl-ethyl)-5-methyl-benzoic acid methyl ester Formula: C13H15NO2 MolecularWeight: 217.2637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-9-5-10(12(15)16-4)7-11(6-9)13(2,3)8-14/h5-7H,1-4H3