| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC1=NC(NN\C=C\Cc2ccccc2[N+]([O-])=O)=NC(=O)C1 |
| InChI | InChI | 1.06 | InChI=1S/C14H15N5O3/c1-10-9-13(20)17-14(16-10)18-15-8-4-6-11-5-2-3-7-12(11)19(21)22/h2-5,7-8,15H,6,9H2,1H3,(H,17,18,20)/b8-4+ |
| InChIKey | InChI | 1.06 | RQPQHPRGYAGHMJ-XBXARRHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=NC(=NC(=O)C1)NN\C=C\Cc2ccccc2[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC1=NC(=NC(=O)C1)NNC=CCc2ccccc2[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1=NC(=NC(=O)C1)NN/C=C/Cc2ccccc2[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1=NC(=NC(=O)C1)NNC=CCc2ccccc2[N+](=O)[O-] |
