[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(4-methoxyphenyl)-2-oxo-ethyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-2-oxoethyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [2-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C20H17I3N2O6 MolecularWeight: 762.07219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(=O)C2=CC=C(C=C2)OC)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(=O)C2=CC=C(C=C2)OC)I)NC(=O)C)I

InChI

InChI=1S/C20H17I3N2O6/c1-9(26)24-18-15(21)14(16(22)19(17(18)23)25-10(2)27)20(29)31-8-13(28)11-4-6-12(30-3)7-5-11/h4-7H,8H2,1-3H3,(H,24,26)(H,25,27)