[2-acetyloxy-3-[[3-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate

Systemtic Name: [2-acetyloxy-3-[[3-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate Openeye Name: [2-acetoxy-3-[(3-carbamoyl-2,4,6-triiodo-benzoyl)amino]propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-[[(3-carbamoyl-2,4,6-triiodophenyl)-oxomethyl]amino]propyl] ester IUPAC Name: [2-acetyloxy-3-[(3-carbamoyl-2,4,6-triiodobenzoyl)amino]propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-[(3-carbamoyl-2,4,6-triiodo-benzoyl)amino]propyl] ester Formula: C15H15I3N2O6 MolecularWeight: 700.00281

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CNC(=O)C1=C(C=C(C(=C1I)C(=O)N)I)I)OC(=O)C

Isomeric SMILES

CC(=O)OCC(CNC(=O)C1=C(C=C(C(=C1I)C(=O)N)I)I)OC(=O)C

InChI

InChI=1S/C15H15I3N2O6/c1-6(21)25-5-8(26-7(2)22)4-20-15(24)12-10(17)3-9(16)11(13(12)18)14(19)23/h3,8H,4-5H2,1-2H3,(H2,19,23)(H,20,24)