| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cccc2c1nc(c2)C(=O)Nc3ccc(\C(=N\NC(=[N@H])N)C)cc3 |
| InChI | InChI | 1.03 | InChI=1S/C18H17N7O3/c1-10(23-24-18(19)20)11-5-7-13(8-6-11)21-17(26)14-9-12-3-2-4-15(25(27)28)16(12)22-14/h2-9,22H,1H3,(H,21,26)(H4,19,20,24)/b23-10+ |
| InChIKey | InChI | 1.03 | ZKHRFTLMLVMQMS-AUEPDCJTSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=N\NC(N)=N)/c1ccc(NC(=O)c2[nH]c3c(cccc3[N+]([O-])=O)c2)cc1 |
| SMILES | CACTVS | 3.385 | CC(=NNC(N)=N)c1ccc(NC(=O)c2[nH]c3c(cccc3[N+]([O-])=O)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=NNC(=N)N)c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] |
