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

Systemtic Name: (2S)-2-[(4-nitro-2-oxidanyl-phenyl)carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[(2-hydroxy-4-nitro-benzoyl)amino]pentanedioic acid CAS Name: (2S)-2-[[(2-hydroxy-4-nitrophenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[(2-hydroxy-4-nitrobenzoyl)amino]pentanedioic acid Traditional Name: (2S)-2-[(2-hydroxy-4-nitro-benzoyl)amino]glutaric acid Formula: C12H12N2O8 MolecularWeight: 312.23228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O8/c15-9-5-6(14(21)22)1-2-7(9)11(18)13-8(12(19)20)3-4-10(16)17/h1-2,5,8,15H,3-4H2,(H,13,18)(H,16,17)(H,19,20)/t8-/m0/s1