[3-acetyloxy-2-[[3-aminocarbonyl-5-azanyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[[3-aminocarbonyl-5-azanyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate Openeye Name: [3-acetoxy-2-[(3-amino-5-carbamoyl-2,4,6-triiodo-benzoyl)amino]propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[[(3-amino-5-carbamoyl-2,4,6-triiodophenyl)-oxomethyl]amino]propyl] ester IUPAC Name: [3-acetyloxy-2-[(3-amino-5-carbamoyl-2,4,6-triiodobenzoyl)amino]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[(3-amino-5-carbamoyl-2,4,6-triiodo-benzoyl)amino]propyl] ester Formula: C15H16I3N3O6 MolecularWeight: 715.01745

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COC(=O)C)NC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N)I

Isomeric SMILES

CC(=O)OCC(COC(=O)C)NC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N)I

InChI

InChI=1S/C15H16I3N3O6/c1-5(22)26-3-7(4-27-6(2)23)21-15(25)9-10(16)8(14(20)24)11(17)13(19)12(9)18/h7H,3-4,19H2,1-2H3,(H2,20,24)(H,21,25)