5-bromanyl-N-(2-cyanoethyl)-2-oxidanyl-N-phenyl-benzamide

Systemtic Name: 5-bromanyl-N-(2-cyanoethyl)-2-oxidanyl-N-phenyl-benzamide Openeye Name: 5-bromo-N-(2-cyanoethyl)-2-hydroxy-N-phenyl-benzamide CAS Name: 5-bromo-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzamide IUPAC Name: 5-bromo-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzamide Traditional Name: 5-bromo-N-(2-cyanoethyl)-2-hydroxy-N-phenyl-benzamide Formula: C16H13BrN2O2 MolecularWeight: 345.19062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C16H13BrN2O2/c17-12-7-8-15(20)14(11-12)16(21)19(10-4-9-18)13-5-2-1-3-6-13/h1-3,5-8,11,20H,4,10H2