4-(cyanomethyl)-2-(2-methylpropyl)benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-(2-methylpropyl)benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-isobutyl-benzonitrile CAS Name: 4-(cyanomethyl)-2-(2-methylpropyl)benzonitrile IUPAC Name: 4-(cyanomethyl)-2-(2-methylpropyl)benzonitrile Traditional Name: 4-(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(=C1)CC#N)C#N

Isomeric SMILES

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

InChI

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