ethyl 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]propanoate Openeye Name: ethyl 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]propanoate CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]propanoate Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]propionic acid ethyl ester Formula: C16H18I3N3O5 MolecularWeight: 713.04463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(=O)C(C)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C16H18I3N3O5/c1-5-27-16(26)6(2)20-15(25)9-10(17)13(21-7(3)23)12(19)14(11(9)18)22-8(4)24/h6H,5H2,1-4H3,(H,20,25)(H,21,23)(H,22,24)