[[3-aminocarbonyl-5-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]methyl ethanoate

Systemtic Name: [[3-aminocarbonyl-5-azanyl-2,4,6-tris(iodanyl)phenyl]carbonyl-ethyl-amino]methyl ethanoate Openeye Name: [(3-amino-5-carbamoyl-2,4,6-triiodo-benzoyl)-ethyl-amino]methyl acetate CAS Name: acetic acid [[(3-amino-5-carbamoyl-2,4,6-triiodophenyl)-oxomethyl]-ethylamino]methyl ester IUPAC Name: [(3-amino-5-carbamoyl-2,4,6-triiodobenzoyl)-ethylamino]methyl acetate Traditional Name: acetic acid [(3-amino-5-carbamoyl-2,4,6-triiodo-benzoyl)-ethyl-amino]methyl ester Formula: C13H14I3N3O4 MolecularWeight: 656.98137

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Descriptors Computed from Structure

Canonical SMILES:

CCN(COC(=O)C)C(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N)I

Isomeric SMILES

CCN(COC(=O)C)C(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N)I

InChI

InChI=1S/C13H14I3N3O4/c1-3-19(4-23-5(2)20)13(22)7-8(14)6(12(18)21)9(15)11(17)10(7)16/h3-4,17H2,1-2H3,(H2,18,21)