3-[5-bromanyl-2-(2-cyanoethyl)phenyl]-1,1-dimethyl-urea

Systemtic Name: 3-[5-bromanyl-2-(2-cyanoethyl)phenyl]-1,1-dimethyl-urea Openeye Name: 3-[5-bromo-2-(2-cyanoethyl)phenyl]-1,1-dimethyl-urea CAS Name: 3-[5-bromo-2-(2-cyanoethyl)phenyl]-1,1-dimethylurea IUPAC Name: 3-[5-bromo-2-(2-cyanoethyl)phenyl]-1,1-dimethylurea Traditional Name: 3-[5-bromo-2-(2-cyanoethyl)phenyl]-1,1-dimethyl-urea Formula: C12H14BrN3O MolecularWeight: 296.16306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C=CC(=C1)Br)CCC#N

Isomeric SMILES

CN(C)C(=O)NC1=C(C=CC(=C1)Br)CCC#N

InChI

InChI=1S/C12H14BrN3O/c1-16(2)12(17)15-11-8-10(13)6-5-9(11)4-3-7-14/h5-6,8H,3-4H2,1-2H3,(H,15,17)