2-(3,3-dimethyl-2-oxidanylidene-butyl)benzenecarbonitrile

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)benzenecarbonitrile Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)benzonitrile CAS Name: 2-(3,3-dimethyl-2-oxobutyl)benzonitrile IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)benzonitrile Traditional Name: 2-(2-keto-3,3-dimethyl-butyl)benzonitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1=CC=CC=C1C#N

Isomeric SMILES

CC(C)(C)C(=O)CC1=CC=CC=C1C#N

InChI

InChI=1S/C13H15NO/c1-13(2,3)12(15)8-10-6-4-5-7-11(10)9-14/h4-7H,8H2,1-3H3