5-bromanyl-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-iodanyl-benzamide

Systemtic Name: 5-bromanyl-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-iodanyl-benzamide Openeye Name: 5-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-iodo-benzamide CAS Name: 5-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-iodobenzamide IUPAC Name: 5-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-iodobenzamide Traditional Name: 5-bromo-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-2-iodo-benzamide Formula: C22H16BrIN2O2 MolecularWeight: 547.18311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)Br)I

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)NC(=O)C4=C(C=CC(=C4)Br)I

InChI

InChI=1S/C22H16BrIN2O2/c1-12-8-19-20(9-13(12)2)28-22(26-19)14-4-3-5-16(10-14)25-21(27)17-11-15(23)6-7-18(17)24/h3-11H,1-2H3,(H,25,27)