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

Systemtic Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoic acid Openeye Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid CAS Name: 3-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid IUPAC Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Traditional Name: 3-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid Formula: C12H11I3N2O5 MolecularWeight: 643.93955

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I

Isomeric SMILES

CNC(=O)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I

InChI

InChI=1S/C12H11I3N2O5/c1-16-10(19)4-7(13)5(11(20)17-2-3-18)9(15)6(8(4)14)12(21)22/h18H,2-3H2,1H3,(H,16,19)(H,17,20)(H,21,22)