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

Systemtic Name: 2-[[2,4,6-tris(iodanyl)-3-(methylcarbamoyl)-5-(propanoylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[2,4,6-triiodo-3-(methylcarbamoyl)-5-(1-oxopropylamino)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoyl]amino]acetic acid Traditional Name: 2-[[2,4,6-triiodo-3-(methylcarbamoyl)-5-propionamido-benzoyl]amino]acetic acid Formula: C14H14I3N3O5 MolecularWeight: 684.99147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I3N3O5/c1-3-5(21)20-12-10(16)7(13(24)18-2)9(15)8(11(12)17)14(25)19-4-6(22)23/h3-4H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)