4-(2,2-dimethyl-3-oxidanylidene-butyl)benzenecarbonitrile

Systemtic Name: 4-(2,2-dimethyl-3-oxidanylidene-butyl)benzenecarbonitrile Openeye Name: 4-(2,2-dimethyl-3-oxo-butyl)benzonitrile CAS Name: 4-(2,2-dimethyl-3-oxobutyl)benzonitrile IUPAC Name: 4-(2,2-dimethyl-3-oxobutyl)benzonitrile Traditional Name: 4-(3-keto-2,2-dimethyl-butyl)benzonitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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