3-(2-bromophenyl)-2,2-dideuterio-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(2-bromophenyl)-2,2-dideuterio-3-oxidanylidene-propanenitrile Openeye Name: 3-(2-bromophenyl)-2,2-dideuterio-3-oxo-propanenitrile CAS Name: 3-(2-bromophenyl)-2,2-dideuterio-3-oxopropanenitrile IUPAC Name: 3-(2-bromophenyl)-2,2-dideuterio-3-oxopropanenitrile Traditional Name: 3-(2-bromophenyl)-2,2-dideuterio-3-keto-propionitrile Formula: C9H6BrNO MolecularWeight: 226.066364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C([2H])(C#N)C(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C9H6BrNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2/i5D2