2-(4-tert-butyl-2,6-dimethyl-phenyl)carbonyl-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(4-tert-butyl-2,6-dimethyl-phenyl)carbonyl-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(4-tert-butyl-2,6-dimethyl-benzoyl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)-oxomethyl]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(4-tert-butyl-2,6-dimethylbenzoyl)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-(4-tert-butyl-2,6-dimethyl-benzoyl)-3-keto-4,4-dimethyl-valeronitrile Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-12-9-14(19(3,4)5)10-13(2)16(12)17(22)15(11-21)18(23)20(6,7)8/h9-10,15H,1-8H3