(2S)-2-[(2-nitrophenyl)methylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(2-nitrophenyl)methylamino]pentanedioic acid Openeye Name: (2S)-2-[(2-nitrophenyl)methylamino]pentanedioic acid CAS Name: (2S)-2-[(2-nitrophenyl)methylamino]pentanedioic acid IUPAC Name: (2S)-2-[(2-nitrophenyl)methylamino]pentanedioic acid Traditional Name: (2S)-2-[(2-nitrobenzyl)amino]glutaric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c15-11(16)6-5-9(12(17)18)13-7-8-3-1-2-4-10(8)14(19)20/h1-4,9,13H,5-7H2,(H,15,16)(H,17,18)/t9-/m0/s1