2-[[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetic acid CAS Name: 2-[[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetic acid Traditional Name: 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetic acid Formula: C13H12I3N3O5 MolecularWeight: 670.96489

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(=O)O)I)C(=O)NC)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(=O)O)I)C(=O)NC)I

InChI

InChI=1S/C13H12I3N3O5/c1-4(20)19-11-9(15)6(12(23)17-2)8(14)7(10(11)16)13(24)18-3-5(21)22/h3H2,1-2H3,(H,17,23)(H,18,24)(H,19,20)(H,21,22)