3-(2,2-dimethylpropanoyl)benzenecarbonitrile

Systemtic Name: 3-(2,2-dimethylpropanoyl)benzenecarbonitrile Openeye Name: 3-(2,2-dimethylpropanoyl)benzonitrile CAS Name: 3-(2,2-dimethyl-1-oxopropyl)benzonitrile IUPAC Name: 3-(2,2-dimethylpropanoyl)benzonitrile Traditional Name: 3-pivaloylbenzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-12(2,3)11(14)10-6-4-5-9(7-10)8-13/h4-7H,1-3H3