| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O-][N+](=O)c1cc2NC(=O)C(=O)Nc2cc1CN |
| InChI | InChI | 1.06 | InChI=1S/C9H8N4O4/c10-3-4-1-5-6(2-7(4)13(16)17)12-9(15)8(14)11-5/h1-2H,3,10H2,(H,11,14)(H,12,15) |
| InChIKey | InChI | 1.06 | DWQWOEGFPYFGFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cc2NC(=O)C(=O)Nc2cc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | NCc1cc2NC(=O)C(=O)Nc2cc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])CN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1c(c(cc2c1NC(=O)C(=O)N2)[N+](=O)[O-])CN |
