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(2-azanyl-2-oxidanylidene-ethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

(2-azanyl-2-oxidanylidene-ethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name:(2-azanyl-2-oxidanylidene-ethyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate
Openeye Name:(2-amino-2-oxo-ethyl) 3,5-diacetamido-2,4,6-triiodo-benzoate
CAS Name:3,5-diacetamido-2,4,6-triiodobenzoic acid (2-amino-2-oxoethyl) ester
IUPAC Name:(2-amino-2-oxoethyl) 3,5-diacetamido-2,4,6-triiodobenzoate
Traditional Name:3,5-diacetamido-2,4,6-triiodo-benzoic acid (2-amino-2-keto-ethyl) ester
Formula: C13H12I3N3O5
MolecularWeight: 670.96489
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(=O)N)I)NC(=O)C)I


Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCC(=O)N)I)NC(=O)C)I


InChI

InChI=1S/C13H12I3N3O5/c1-4(20)18-11-8(14)7(13(23)24-3-6(17)22)9(15)12(10(11)16)19-5(2)21/h3H2,1-2H3,(H2,17,22)(H,18,20)(H,19,21)


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