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

Systemtic Name: 2-[[4-(methylamino)-2-oxidanyl-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[2-hydroxy-4-(methylamino)benzoyl]amino]pentanedioic acid CAS Name: 2-[[[2-hydroxy-4-(methylamino)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-hydroxy-4-(methylamino)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[2-hydroxy-4-(methylamino)benzoyl]amino]glutaric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-14-7-2-3-8(10(16)6-7)12(19)15-9(13(20)21)4-5-11(17)18/h2-3,6,9,14,16H,4-5H2,1H3,(H,15,19)(H,17,18)(H,20,21)