2-[3-(cyanomethyl)-2,4,6-trimethyl-phenyl]ethanenitrile

Systemtic Name: 2-[3-(cyanomethyl)-2,4,6-trimethyl-phenyl]ethanenitrile Openeye Name: 2-[3-(cyanomethyl)-2,4,6-trimethyl-phenyl]acetonitrile CAS Name: 2-[3-(cyanomethyl)-2,4,6-trimethylphenyl]acetonitrile IUPAC Name: 2-[3-(cyanomethyl)-2,4,6-trimethylphenyl]acetonitrile Traditional Name: 2-[3-(cyanomethyl)-2,4,6-trimethyl-phenyl]acetonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CC#N)C)CC#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1CC#N)C)CC#N)C

InChI

InChI=1S/C13H14N2/c1-9-8-10(2)13(5-7-15)11(3)12(9)4-6-14/h8H,4-5H2,1-3H3