methyl 5-(cyanomethyl)-2-methyl-benzoate

Systemtic Name: methyl 5-(cyanomethyl)-2-methyl-benzoate Openeye Name: methyl 5-(cyanomethyl)-2-methyl-benzoate CAS Name: 5-(cyanomethyl)-2-methylbenzoic acid methyl ester IUPAC Name: methyl 5-(cyanomethyl)-2-methylbenzoate Traditional Name: 5-(cyanomethyl)-2-methyl-benzoic acid methyl ester Formula: C11H11NO2 MolecularWeight: 189.21054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO2/c1-8-3-4-9(5-6-12)7-10(8)11(13)14-2/h3-4,7H,5H2,1-2H3