[3-acetyloxy-2-[[3-aminocarbonyl-5-(3-bromanyl-2-oxidanylidene-pyrrolidin-1-yl)-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate

Systemtic Name: [3-acetyloxy-2-[[3-aminocarbonyl-5-(3-bromanyl-2-oxidanylidene-pyrrolidin-1-yl)-2,4,6-tris(iodanyl)phenyl]carbonylamino]propyl] ethanoate Openeye Name: [3-acetoxy-2-[[3-(3-bromo-2-oxo-pyrrolidin-1-yl)-5-carbamoyl-2,4,6-triiodo-benzoyl]amino]propyl] acetate CAS Name: acetic acid [3-acetyloxy-2-[[[3-(3-bromo-2-oxo-1-pyrrolidinyl)-5-carbamoyl-2,4,6-triiodophenyl]-oxomethyl]amino]propyl] ester IUPAC Name: [3-acetyloxy-2-[[3-(3-bromo-2-oxopyrrolidin-1-yl)-5-carbamoyl-2,4,6-triiodobenzoyl]amino]propyl] acetate Traditional Name: acetic acid [3-acetoxy-2-[[3-(3-bromo-2-keto-pyrrolidino)-5-carbamoyl-2,4,6-triiodo-benzoyl]amino]propyl] ester Formula: C19H19BrI3N3O7 MolecularWeight: 861.98747

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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)N2CCC(C2=O)Br)I

Isomeric SMILES

CC(=O)OCC(COC(=O)C)NC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N2CCC(C2=O)Br)I

InChI

InChI=1S/C19H19BrI3N3O7/c1-7(27)32-5-9(6-33-8(2)28)25-18(30)12-13(21)11(17(24)29)14(22)16(15(12)23)26-4-3-10(20)19(26)31/h9-10H,3-6H2,1-2H3,(H2,24,29)(H,25,30)