2-[(4-nitrophenyl)-(2-oxidanylethanoyl)amino]pentanedioic acid

Systemtic Name: 2-[(4-nitrophenyl)-(2-oxidanylethanoyl)amino]pentanedioic acid Openeye Name: 2-(N-(2-hydroxyacetyl)-4-nitro-anilino)pentanedioic acid CAS Name: 2-(N-(2-hydroxy-1-oxoethyl)-4-nitroanilino)pentanedioic acid IUPAC Name: 2-(N-(2-hydroxyacetyl)-4-nitroanilino)pentanedioic acid Traditional Name: 2-(N-glycoloyl-4-nitro-anilino)glutaric acid Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C(CCC(=O)O)C(=O)O)C(=O)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(C(CCC(=O)O)C(=O)O)C(=O)CO)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O8/c16-7-11(17)14(10(13(20)21)5-6-12(18)19)8-1-3-9(4-2-8)15(22)23/h1-4,10,16H,5-7H2,(H,18,19)(H,20,21)