3-azanyl-5-(1-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-azanyl-5-(1-hydroxyethylcarbamoyl)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-amino-5-(1-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid CAS Name: 3-amino-5-[(1-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid IUPAC Name: 3-amino-5-(1-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid Traditional Name: 3-amino-5-(1-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid Formula: C10H9I3N2O4 MolecularWeight: 601.90287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9I3N2O4/c1-2(16)15-9(17)3-5(11)4(10(18)19)7(13)8(14)6(3)12/h2,16H,14H2,1H3,(H,15,17)(H,18,19)