3-(3,3-dimethylbutanoyl)benzenecarbonitrile

Systemtic Name: 3-(3,3-dimethylbutanoyl)benzenecarbonitrile Openeye Name: 3-(3,3-dimethylbutanoyl)benzonitrile CAS Name: 3-(3,3-dimethyl-1-oxobutyl)benzonitrile IUPAC Name: 3-(3,3-dimethylbutanoyl)benzonitrile Traditional Name: 3-(3,3-dimethylbutanoyl)benzonitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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