N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-(3-methylphenoxy)acetamide Formula: C22H16BrIN2O3 MolecularWeight: 563.18251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

InChI

InChI=1S/C22H16BrIN2O3/c1-13-3-2-4-16(9-13)28-12-21(27)25-15-6-8-20-19(11-15)26-22(29-20)17-10-14(24)5-7-18(17)23/h2-11H,12H2,1H3,(H,25,27)