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

Systemtic Name: 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)-methyl-amino]acetic acid CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]-methylamino]acetic acid IUPAC Name: 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)-methylamino]acetic acid Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)-methyl-amino]acetic acid Formula: C14H14I3N3O5 MolecularWeight: 684.99147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14I3N3O5/c1-5(21)18-12-9(15)8(14(25)20(3)4-7(23)24)10(16)13(11(12)17)19-6(2)22/h4H2,1-3H3,(H,18,21)(H,19,22)(H,23,24)