2-[3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenoxy]propanoic acid

Systemtic Name: 2-[3-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]phenoxy]propanoic acid Openeye Name: 2-[3-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenoxy]propanoic acid CAS Name: 2-[3-[[(3-amino-2,4,6-triiodophenyl)-oxomethyl]amino]phenoxy]propanoic acid IUPAC Name: 2-[3-[(3-amino-2,4,6-triiodobenzoyl)amino]phenoxy]propanoic acid Traditional Name: 2-[3-[(3-amino-2,4,6-triiodo-benzoyl)amino]phenoxy]propionic acid Formula: C16H13I3N2O4 MolecularWeight: 677.99883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=CC=CC(=C1)NC(=O)C2=C(C(=C(C=C2I)I)N)I

Isomeric SMILES

CC(C(=O)O)OC1=CC=CC(=C1)NC(=O)C2=C(C(=C(C=C2I)I)N)I

InChI

InChI=1S/C16H13I3N2O4/c1-7(16(23)24)25-9-4-2-3-8(5-9)21-15(22)12-10(17)6-11(18)14(20)13(12)19/h2-7H,20H2,1H3,(H,21,22)(H,23,24)