3-acetamido-2,4,6-tris(iodanyl)-5-(phenylcarbamoyl)benzoic acid; methanamide

Systemtic Name: 3-acetamido-2,4,6-tris(iodanyl)-5-(phenylcarbamoyl)benzoic acid; methanamide Openeye Name: 3-acetamido-2,4,6-triiodo-5-(phenylcarbamoyl)benzoic acid; formamide CAS Name: 3-acetamido-5-[anilino(oxo)methyl]-2,4,6-triiodobenzoic acid; formamide IUPAC Name: 3-acetamido-2,4,6-triiodo-5-(phenylcarbamoyl)benzoic acid; formamide Traditional Name: 3-acetamido-2,4,6-triiodo-5-(phenylcarbamoyl)benzoic acid; formamide Formula: C17H14I3N3O5 MolecularWeight: 721.02357

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC2=CC=CC=C2)I.C(=O)N

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC2=CC=CC=C2)I.C(=O)N

InChI

InChI=1S/C16H11I3N2O4.CH3NO/c1-7(22)20-14-12(18)9(11(17)10(13(14)19)16(24)25)15(23)21-8-5-3-2-4-6-8;2-1-3/h2-6H,1H3,(H,20,22)(H,21,23)(H,24,25);1H,(H2,2,3)