| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cccc2c1nc(c2)C(=O)Nc3ccc(\C(=N\NC(=[N@H])NO)C)cc3 |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=N\NC(=N)NO)/c1ccc(NC(=O)c2[nH]c3c(cccc3[N+]([O-])=O)c2)cc1 |
| SMILES | CACTVS | 3.352 | CC(=NNC(=N)NO)c1ccc(NC(=O)c2[nH]c3c(cccc3[N+]([O-])=O)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C/C(=N\NC(=N)NO)/c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=NNC(=N)NO)c1ccc(cc1)NC(=O)c2cc3cccc(c3[nH]2)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C18H17N7O4/c1-10(22-23-18(19)24-27)11-5-7-13(8-6-11)20-17(26)14-9-12-3-2-4-15(25(28)29)16(12)21-14/h2-9,21,27H,1H3,(H,20,26)(H3,19,23,24)/b22-10+ |
| InChIKey | InChI | 1.03 | CTGMEYONMRTKGL-LSHDLFTRSA-N |
