| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4O6/c10-6(9(14)15)4-11-7-2-1-5(12(16)17)3-8(7)13(18)19/h1-3,6,11H,4,10H2,(H,14,15)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | SWXVRWMORDWCRN-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NCC(C(=O)O)N |
