2-(3-bromophenyl)-5,5-dimethyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(3-bromophenyl)-5,5-dimethyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(3-bromophenyl)-5,5-dimethyl-3-oxo-hexanenitrile CAS Name: 2-(3-bromophenyl)-5,5-dimethyl-3-oxohexanenitrile IUPAC Name: 2-(3-bromophenyl)-5,5-dimethyl-3-oxohexanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-5,5-dimethyl-hexanenitrile Formula: C14H16BrNO MolecularWeight: 294.18694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrNO/c1-14(2,3)8-13(17)12(9-16)10-5-4-6-11(15)7-10/h4-7,12H,8H2,1-3H3