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

Systemtic Name: 2-[[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)-5-(2-oxidanylethanoylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetic acid CAS Name: 2-[[[3-[(2-hydroxy-1-oxoethyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[3-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetic acid Traditional Name: 2-[[3-(glycoloylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetic acid Formula: C13H12I3N3O6 MolecularWeight: 686.96429

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NCC(=O)O)I

Isomeric SMILES

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NCC(=O)O)I

InChI

InChI=1S/C13H12I3N3O6/c1-17-12(24)6-8(14)7(13(25)18-2-5(22)23)10(16)11(9(6)15)19-4(21)3-20/h20H,2-3H2,1H3,(H,17,24)(H,18,25)(H,19,21)(H,22,23)