| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccccc2OC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C12H9N3O5S/c1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19/h2-6H,1H3,(H,13,14,17) |
| InChIKey | InChI | 1.03 | YQNQNVDNTFHQSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)Oc1ccccc1C(=O)Nc2sc(cn2)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | CC(=O)Oc1ccccc1C(=O)Nc2sc(cn2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O-] |
