2-[[3-iodanyl-4-(methylamino)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[3-iodanyl-4-(methylamino)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[3-iodo-4-(methylamino)benzoyl]amino]pentanedioic acid CAS Name: 2-[[[3-iodo-4-(methylamino)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[3-iodo-4-(methylamino)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[3-iodo-4-(methylamino)benzoyl]amino]glutaric acid Formula: C13H15IN2O5 MolecularWeight: 406.17307

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)I

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)I

InChI

InChI=1S/C13H15IN2O5/c1-15-9-3-2-7(6-8(9)14)12(19)16-10(13(20)21)4-5-11(17)18/h2-3,6,10,15H,4-5H2,1H3,(H,16,19)(H,17,18)(H,20,21)