3-oxidanylidene-2-(4-propan-2-ylphenyl)butanenitrile

Systemtic Name: 3-oxidanylidene-2-(4-propan-2-ylphenyl)butanenitrile Openeye Name: 2-(4-isopropylphenyl)-3-oxo-butanenitrile CAS Name: 3-oxo-2-(4-propan-2-ylphenyl)butanenitrile IUPAC Name: 3-oxo-2-(4-propan-2-ylphenyl)butanenitrile Traditional Name: 3-keto-2-p-cumenyl-butyronitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-9(2)11-4-6-12(7-5-11)13(8-14)10(3)15/h4-7,9,13H,1-3H3