3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)benzoic acid

Systemtic Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)-5-(2-methoxyethanoylamino)benzoic acid Openeye Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid CAS Name: 3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodo-5-[(2-methoxy-1-oxoethyl)amino]benzoic acid IUPAC Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid Traditional Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoic acid Formula: C13H13I3N2O6 MolecularWeight: 673.96553

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I

Isomeric SMILES

COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I

InChI

InChI=1S/C13H13I3N2O6/c1-24-4-5(20)18-11-9(15)6(12(21)17-2-3-19)8(14)7(10(11)16)13(22)23/h19H,2-4H2,1H3,(H,17,21)(H,18,20)(H,22,23)