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

Systemtic Name: 2-[[2,4,6-tris(iodanyl)-3-(2-methoxyethanoylamino)-5-(methylcarbamoyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-(methylcarbamoyl)benzoyl]amino]acetic acid CAS Name: 2-[[oxo-[2,4,6-triiodo-3-[(2-methoxy-1-oxoethyl)amino]-5-(methylcarbamoyl)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[[2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-(methylcarbamoyl)benzoyl]amino]acetic acid Traditional Name: 2-[[2,4,6-triiodo-3-[(2-methoxyacetyl)amino]-5-(methylcarbamoyl)benzoyl]amino]acetic acid Formula: C14H14I3N3O6 MolecularWeight: 700.99087

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(=O)O)I

Isomeric SMILES

CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NCC(=O)O)I

InChI

InChI=1S/C14H14I3N3O6/c1-18-13(24)7-9(15)8(14(25)19-3-6(22)23)11(17)12(10(7)16)20-5(21)4-26-2/h3-4H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)