| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(NCCC(C([O-])=O)[NH3+])c(c1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4O6/c11-7(10(15)16)3-4-12-8-2-1-6(13(17)18)5-9(8)14(19)20/h1-2,5,7,12H,3-4,11H2,(H,15,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | ZSHUSDSLXWTXDN-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCCC(C(=O)O)N |
