[[3-aminocarbonyl-2,4,6-tris(iodanyl)phenoxy]carbonyl-ethyl-amino]methyl ethanoate

Systemtic Name: [[3-aminocarbonyl-2,4,6-tris(iodanyl)phenoxy]carbonyl-ethyl-amino]methyl ethanoate Openeye Name: [(3-carbamoyl-2,4,6-triiodo-phenoxy)carbonyl-ethyl-amino]methyl acetate CAS Name: acetic acid [[(3-carbamoyl-2,4,6-triiodophenoxy)-oxomethyl]-ethylamino]methyl ester IUPAC Name: [(3-carbamoyl-2,4,6-triiodophenoxy)carbonyl-ethylamino]methyl acetate Traditional Name: acetic acid [(3-carbamoyl-2,4,6-triiodo-phenoxy)carbonyl-ethyl-amino]methyl ester Formula: C13H13I3N2O5 MolecularWeight: 657.96613

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Descriptors Computed from Structure

Canonical SMILES:

CCN(COC(=O)C)C(=O)OC1=C(C=C(C(=C1I)C(=O)N)I)I

Isomeric SMILES

CCN(COC(=O)C)C(=O)OC1=C(C=C(C(=C1I)C(=O)N)I)I

InChI

InChI=1S/C13H13I3N2O5/c1-3-18(5-22-6(2)19)13(21)23-11-8(15)4-7(14)9(10(11)16)12(17)20/h4H,3,5H2,1-2H3,(H2,17,20)