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

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C17H20I3N3O5 MolecularWeight: 727.07121

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C17H20I3N3O5/c1-5-23(6-2)10(26)7-28-17(27)11-12(18)15(21-8(3)24)14(20)16(13(11)19)22-9(4)25/h5-7H2,1-4H3,(H,21,24)(H,22,25)