2-[3-(cyanomethyl)-5-methyl-phenyl]ethanenitrile

Systemtic Name: 2-[3-(cyanomethyl)-5-methyl-phenyl]ethanenitrile Openeye Name: 2-[3-(cyanomethyl)-5-methyl-phenyl]acetonitrile CAS Name: 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile IUPAC Name: 2-[3-(cyanomethyl)-5-methylphenyl]acetonitrile Traditional Name: 2-[3-(cyanomethyl)-5-methyl-phenyl]acetonitrile Formula: C11H10N2 MolecularWeight: 170.2105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CC#N)CC#N

Isomeric SMILES

CC1=CC(=CC(=C1)CC#N)CC#N

InChI

InChI=1S/C11H10N2/c1-9-6-10(2-4-12)8-11(7-9)3-5-13/h6-8H,2-3H2,1H3