2-(3-bromophenyl)-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(3-bromophenyl)-3-oxidanylidene-hexanenitrile Openeye Name: 2-(3-bromophenyl)-3-oxo-hexanenitrile CAS Name: 2-(3-bromophenyl)-3-oxohexanenitrile IUPAC Name: 2-(3-bromophenyl)-3-oxohexanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-hexanenitrile Formula: C12H12BrNO MolecularWeight: 266.13378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO/c1-2-4-12(15)11(8-14)9-5-3-6-10(13)7-9/h3,5-7,11H,2,4H2,1H3