4-[[2-(2-nitrophenyl)-2-oxidanyl-ethanoyl]oxycarbonylamino]butanoic acid

Systemtic Name: 4-[[2-(2-nitrophenyl)-2-oxidanyl-ethanoyl]oxycarbonylamino]butanoic acid Openeye Name: 4-[[2-hydroxy-2-(2-nitrophenyl)acetyl]oxycarbonylamino]butanoic acid CAS Name: 4-[[[2-hydroxy-2-(2-nitrophenyl)-1-oxoethoxy]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[2-hydroxy-2-(2-nitrophenyl)acetyl]oxycarbonylamino]butanoic acid Traditional Name: 4-[[2-hydroxy-2-(2-nitrophenyl)acetyl]oxycarbonylamino]butyric acid Formula: C13H14N2O8 MolecularWeight: 326.25886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C(=O)OC(=O)NCCCC(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(C(=O)OC(=O)NCCCC(=O)O)O)[N+](=O)[O-]

InChI

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