| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1ncc(s1)[N+]([O-])=O)NCc2ccc(OC)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(CNC(=O)Nc2sc(cn2)[N+]([O-])=O)cc1 |
| SMILES | CACTVS | 3.341 | COc1ccc(CNC(=O)Nc2sc(cn2)[N+]([O-])=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17) |
| InChIKey | InChI | 1.03 | YAEMHJKFIIIULI-UHFFFAOYSA-N |
