| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17) |
| InChIKey | InChI | 1.03 | FRPJSHKMZHWJBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccncc2 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl |
