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

Systemtic Name: 3-aminocarbonyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-carbamoyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-carbamoyl-5-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-carbamoyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-carbamoyl-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C11H9I3N2O5 MolecularWeight: 629.91297

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)NC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)O)I

Isomeric SMILES

C(CO)NC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)O)I

InChI

InChI=1S/C11H9I3N2O5/c12-6-3(9(15)18)7(13)5(11(20)21)8(14)4(6)10(19)16-1-2-17/h17H,1-2H2,(H2,15,18)(H,16,19)(H,20,21)