| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1C)[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3 |
| InChIKey | InChI | 1.03 | SPSSULHKWOKEEL-UHFFFAOYSA-N |
