2,4,6-tris(iodanyl)-3-(2-methoxyethanoylamino)-5-[[1-(methylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3-(2-methoxyethanoylamino)-5-[[1-(methylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]benzoic acid Openeye Name: 3-[[1-(hydroxymethyl)-2-(methylamino)-2-oxo-ethyl]carbamoyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid CAS Name: 3-[[[3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-2,4,6-triiodo-5-[(2-methoxy-1-oxoethyl)amino]benzoic acid IUPAC Name: 3-[[3-hydroxy-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid Traditional Name: 2,4,6-triiodo-3-[[2-keto-2-(methylamino)-1-methylol-ethyl]carbamoyl]-5-[(2-methoxyacetyl)amino]benzoic acid Formula: C15H16I3N3O7 MolecularWeight: 731.01685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16I3N3O7/c1-19-13(24)5(3-22)20-14(25)7-9(16)8(15(26)27)11(18)12(10(7)17)21-6(23)4-28-2/h5,22H,3-4H2,1-2H3,(H,19,24)(H,20,25)(H,21,23)(H,26,27)