N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-iodanyl-benzamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-iodanyl-benzamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-iodo-benzamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-iodobenzamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-iodo-benzamide Formula: C21H14BrIN2O3 MolecularWeight: 549.15593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4I)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=CC=C4I)Br

InChI

InChI=1S/C21H14BrIN2O3/c1-27-18-8-6-12(10-15(18)22)21-25-17-11-13(7-9-19(17)28-21)24-20(26)14-4-2-3-5-16(14)23/h2-11H,1H3,(H,24,26)