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

Systemtic Name: diethyl 2-[3-acetamido-2,4,6-tris(iodanyl)phenyl]carbonyloxypropanedioate Openeye Name: diethyl 2-(3-acetamido-2,4,6-triiodo-benzoyl)oxypropanedioate CAS Name: 2-[(3-acetamido-2,4,6-triiodophenyl)-oxomethoxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-acetamido-2,4,6-triiodobenzoyl)oxypropanedioate Traditional Name: 2-(3-acetamido-2,4,6-triiodo-benzoyl)oxymalonic acid diethyl ester Formula: C16H16I3NO7 MolecularWeight: 715.01415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16I3NO7/c1-4-25-15(23)13(16(24)26-5-2)27-14(22)10-8(17)6-9(18)12(11(10)19)20-7(3)21/h6,13H,4-5H2,1-3H3,(H,20,21)