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

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C21H13BrIN3O5 MolecularWeight: 594.15349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br

InChI

InChI=1S/C21H13BrIN3O5/c22-17-7-1-12(23)9-16(17)21-25-18-10-13(2-8-19(18)31-21)24-20(27)11-30-15-5-3-14(4-6-15)26(28)29/h1-10H,11H2,(H,24,27)