3-(cyanomethyl)-2-(2-methylpropyl)benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-2-(2-methylpropyl)benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-2-isobutyl-benzonitrile CAS Name: 3-(cyanomethyl)-2-(2-methylpropyl)benzonitrile IUPAC Name: 3-(cyanomethyl)-2-(2-methylpropyl)benzonitrile Traditional Name: 3-(cyanomethyl)-2-isobutyl-benzonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2/c1-10(2)8-13-11(6-7-14)4-3-5-12(13)9-15/h3-5,10H,6,8H2,1-2H3