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

Systemtic Name: 2-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(methylamino)-3-nitro-benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(methylamino)-3-nitrobenzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(methylamino)-3-nitro-benzoyl]amino]glutaric acid Formula: C13H15N3O7 MolecularWeight: 325.2741

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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)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7/c1-14-8-3-2-7(6-10(8)16(22)23)12(19)15-9(13(20)21)4-5-11(17)18/h2-3,6,9,14H,4-5H2,1H3,(H,15,19)(H,17,18)(H,20,21)