| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC(=O)NC(=O)\C1=C\C=C/c1ccc(cc1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C13H9N3O5/c17-11-10(12(18)15-13(19)14-11)3-1-2-8-4-6-9(7-5-8)16(20)21/h1-7H,(H2,14,15,17,18,19)/b2-1- |
| InChIKey | InChI | 1.06 | MLXVJXPSNYDYIR-UPHRSURJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1ccc(\C=C/C=C2C(=O)NC(=O)NC2=O)cc1 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1/C=C\C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C=CC=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] |
