3-(2-methylbut-3-en-2-yl)benzenecarbonitrile

Systemtic Name: 3-(2-methylbut-3-en-2-yl)benzenecarbonitrile Openeye Name: 3-(1,1-dimethylallyl)benzonitrile CAS Name: 3-(2-methylbut-3-en-2-yl)benzonitrile IUPAC Name: 3-(2-methylbut-3-en-2-yl)benzonitrile Traditional Name: 3-(1,1-dimethylallyl)benzonitrile Formula: C12H13N MolecularWeight: 171.23832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N/c1-4-12(2,3)11-7-5-6-10(8-11)9-13/h4-8H,1H2,2-3H3