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

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C22H22I3N3O5 MolecularWeight: 789.14059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C(=C(C(=C2I)NC(=O)C)I)NC(=O)C)I)C

InChI

InChI=1S/C22H22I3N3O5/c1-9-6-10(2)19(11(3)7-9)28-14(31)8-33-22(32)15-16(23)20(26-12(4)29)18(25)21(17(15)24)27-13(5)30/h6-7H,8H2,1-5H3,(H,26,29)(H,27,30)(H,28,31)