3-azanyl-5-(carboxymethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-azanyl-5-(carboxymethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-amino-5-(carboxymethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[(carboxymethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-(carboxymethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-5-(carboxymethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C10H7I3N2O5 MolecularWeight: 615.88639

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7I3N2O5/c11-5-3(9(18)15-1-2(16)17)6(12)8(14)7(13)4(5)10(19)20/h1,14H2,(H,15,18)(H,16,17)(H,19,20)