3-(2,5-dimethylphenyl)-2-methyl-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2,5-dimethylphenyl)-2-methyl-3-oxidanylidene-propanenitrile Openeye Name: 3-(2,5-dimethylphenyl)-2-methyl-3-oxo-propanenitrile CAS Name: 3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanenitrile IUPAC Name: 3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanenitrile Traditional Name: 3-(2,5-dimethylphenyl)-3-keto-2-methyl-propionitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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