ethyl 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)-methyl-amino]acetate CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)-methylamino]acetate Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)-methyl-amino]acetic acid ethyl ester Formula: C16H18I3N3O5 MolecularWeight: 713.04463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18I3N3O5/c1-5-27-9(25)6-22(4)16(26)10-11(17)14(20-7(2)23)13(19)15(12(10)18)21-8(3)24/h5-6H2,1-4H3,(H,20,23)(H,21,24)