4-(3,4-dimethylphenyl)-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanenitrile Openeye Name: 4-(3,4-dimethylphenyl)-4-oxo-butanenitrile CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanenitrile IUPAC Name: 4-(3,4-dimethylphenyl)-4-oxobutanenitrile Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyronitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-9-5-6-11(8-10(9)2)12(14)4-3-7-13/h5-6,8H,3-4H2,1-2H3