3-oxidanylidene-2-(2,4,6-trimethylphenyl)butanenitrile

Systemtic Name: 3-oxidanylidene-2-(2,4,6-trimethylphenyl)butanenitrile Openeye Name: 3-oxo-2-(2,4,6-trimethylphenyl)butanenitrile CAS Name: 3-oxo-2-(2,4,6-trimethylphenyl)butanenitrile IUPAC Name: 3-oxo-2-(2,4,6-trimethylphenyl)butanenitrile Traditional Name: 3-keto-2-mesityl-butyronitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-8-5-9(2)13(10(3)6-8)12(7-14)11(4)15/h5-6,12H,1-4H3