2-(3-bromophenyl)-5-methoxy-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(3-bromophenyl)-5-methoxy-3-oxidanylidene-pentanenitrile Openeye Name: 2-(3-bromophenyl)-5-methoxy-3-oxo-pentanenitrile CAS Name: 2-(3-bromophenyl)-5-methoxy-3-oxopentanenitrile IUPAC Name: 2-(3-bromophenyl)-5-methoxy-3-oxopentanenitrile Traditional Name: 2-(3-bromophenyl)-3-keto-5-methoxy-valeronitrile Formula: C12H12BrNO2 MolecularWeight: 282.13318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO2/c1-16-6-5-12(15)11(8-14)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6H2,1H3