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

Systemtic Name: [2-(ethylamino)-2-oxidanylidene-ethyl] 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(ethylamino)-2-oxo-ethyl] 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid [2-(ethylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylamino)-2-oxoethyl] 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid [2-(ethylamino)-2-keto-ethyl] ester Formula: C15H16I3N3O5 MolecularWeight: 699.01805

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)COC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCNC(=O)COC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C15H16I3N3O5/c1-4-19-8(24)5-26-15(25)9-10(16)13(20-6(2)22)12(18)14(11(9)17)21-7(3)23/h4-5H2,1-3H3,(H,19,24)(H,20,22)(H,21,23)