2-[[3-acetamido-5-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[3-acetamido-5-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[(3-acetamido-5-carbamoyl-2,4,6-triiodo-benzoyl)amino]acetic acid CAS Name: 2-[[(3-acetamido-5-carbamoyl-2,4,6-triiodophenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3-acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)amino]acetic acid Traditional Name: 2-[(3-acetamido-5-carbamoyl-2,4,6-triiodo-benzoyl)amino]acetic acid Formula: C12H10I3N3O5 MolecularWeight: 656.93831

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(=O)O)I)C(=O)N)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(=O)O)I)C(=O)N)I

InChI

InChI=1S/C12H10I3N3O5/c1-3(19)18-10-8(14)5(11(16)22)7(13)6(9(10)15)12(23)17-2-4(20)21/h2H2,1H3,(H2,16,22)(H,17,23)(H,18,19)(H,20,21)