N-[3-(4-acetamidophenoxy)-5-nitro-phenyl]-2,3,5-tris(iodanyl)benzamide

Systemtic Name: N-[3-(4-acetamidophenoxy)-5-nitro-phenyl]-2,3,5-tris(iodanyl)benzamide Openeye Name: N-[3-(4-acetamidophenoxy)-5-nitro-phenyl]-2,3,5-triiodo-benzamide CAS Name: N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-2,3,5-triiodobenzamide IUPAC Name: N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-2,3,5-triiodobenzamide Traditional Name: N-[3-(4-acetamidophenoxy)-5-nitro-phenyl]-2,3,5-triiodo-benzamide Formula: C21H14I3N3O5 MolecularWeight: 769.06637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3I)I)I

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC(=C3I)I)I

InChI

InChI=1S/C21H14I3N3O5/c1-11(28)25-13-2-4-16(5-3-13)32-17-9-14(8-15(10-17)27(30)31)26-21(29)18-6-12(22)7-19(23)20(18)24/h2-10H,1H3,(H,25,28)(H,26,29)