3-methyl-2-[[2,3,5-tris(iodanyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[2,3,5-tris(iodanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2,3,5-triiodobenzoyl)amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-(2,3,5-triiodophenyl)methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2,3,5-triiodobenzoyl)amino]butanoic acid Traditional Name: 3-methyl-2-[(2,3,5-triiodobenzoyl)amino]butyric acid Formula: C12H12I3NO3 MolecularWeight: 598.94199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12I3NO3/c1-5(2)10(12(18)19)16-11(17)7-3-6(13)4-8(14)9(7)15/h3-5,10H,1-2H3,(H,16,17)(H,18,19)