methyl 3-(cyanomethyl)-5-methyl-benzoate

Systemtic Name: methyl 3-(cyanomethyl)-5-methyl-benzoate Openeye Name: methyl 3-(cyanomethyl)-5-methyl-benzoate CAS Name: 3-(cyanomethyl)-5-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(cyanomethyl)-5-methylbenzoate Traditional Name: 3-(cyanomethyl)-5-methyl-benzoic acid methyl ester Formula: C11H11NO2 MolecularWeight: 189.21054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2/c1-8-5-9(3-4-12)7-10(6-8)11(13)14-2/h5-7H,3H2,1-2H3