diethyl 2-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxypropanedioate

Systemtic Name: diethyl 2-[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxypropanedioate Openeye Name: diethyl 2-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxypropanedioate CAS Name: 2-[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethoxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3,5-diacetamido-2,4,6-triiodobenzoyl)oxypropanedioate Traditional Name: 2-(3,5-diacetamido-2,4,6-triiodo-benzoyl)oxymalonic acid diethyl ester Formula: C18H19I3N2O8 MolecularWeight: 772.06547

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C18H19I3N2O8/c1-5-29-17(27)15(18(28)30-6-2)31-16(26)9-10(19)13(22-7(3)24)12(21)14(11(9)20)23-8(4)25/h15H,5-6H2,1-4H3,(H,22,24)(H,23,25)