2-butan-2-yl-4-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 2-butan-2-yl-4-(cyanomethyl)benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-sec-butyl-benzonitrile CAS Name: 2-butan-2-yl-4-(cyanomethyl)benzonitrile IUPAC Name: 2-butan-2-yl-4-(cyanomethyl)benzonitrile Traditional Name: 4-(cyanomethyl)-2-sec-butyl-benzonitrile Formula: C13H14N2 MolecularWeight: 198.26366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2/c1-3-10(2)13-8-11(6-7-14)4-5-12(13)9-15/h4-5,8,10H,3,6H2,1-2H3