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

Systemtic Name: 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]acetic acid CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]acetic acid Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]acetic acid Formula: C13H12I3N3O5 MolecularWeight: 670.96489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12I3N3O5/c1-4(20)18-11-8(14)7(13(24)17-3-6(22)23)9(15)12(10(11)16)19-5(2)21/h3H2,1-2H3,(H,17,24)(H,18,20)(H,19,21)(H,22,23)