2,2-dimethyl-3-(2-methylphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2,2-dimethyl-3-(2-methylphenyl)-3-oxidanylidene-propanenitrile Openeye Name: 2,2-dimethyl-3-(o-tolyl)-3-oxo-propanenitrile CAS Name: 2,2-dimethyl-3-(2-methylphenyl)-3-oxopropanenitrile IUPAC Name: 2,2-dimethyl-3-(2-methylphenyl)-3-oxopropanenitrile Traditional Name: 3-keto-2,2-dimethyl-3-(o-tolyl)propionitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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