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

Systemtic Name: [2-acetyloxy-3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate Openeye Name: [2-acetoxy-3-[(3-amino-2,4,6-triiodo-benzoyl)amino]propyl] acetate CAS Name: acetic acid [2-acetyloxy-3-[[(3-amino-2,4,6-triiodophenyl)-oxomethyl]amino]propyl] ester IUPAC Name: [2-acetyloxy-3-[(3-amino-2,4,6-triiodobenzoyl)amino]propyl] acetate Traditional Name: acetic acid [2-acetoxy-3-[(3-amino-2,4,6-triiodo-benzoyl)amino]propyl] ester Formula: C14H15I3N2O5 MolecularWeight: 671.99271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15I3N2O5/c1-6(20)23-5-8(24-7(2)21)4-19-14(22)11-9(15)3-10(16)13(18)12(11)17/h3,8H,4-5,18H2,1-2H3,(H,19,22)