2-(2-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-3-oxo-butanenitrile CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-3-oxobutanenitrile IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-3-oxobutanenitrile Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-3-keto-butyronitrile Formula: C12H12BrNO3 MolecularWeight: 298.13258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C#N)C1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

CC(=O)C(C#N)C1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C12H12BrNO3/c1-7(15)9(6-14)8-4-11(16-2)12(17-3)5-10(8)13/h4-5,9H,1-3H3