| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | [O-][N+](=O)c1c(ccc(c1)C(=O)NNC(=O)Nc3cccc2ccccc23)C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)(C)c1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)Nc2cccc3ccccc23 |
| SMILES | CACTVS | 3.352 | CC(C)(C)c1ccc(cc1[N+]([O-])=O)C(=O)NNC(=O)Nc2cccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(C)c1ccc(cc1[N+](=O)[O-])C(=O)NNC(=O)Nc2cccc3c2cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C22H22N4O4/c1-22(2,3)17-12-11-15(13-19(17)26(29)30)20(27)24-25-21(28)23-18-10-6-8-14-7-4-5-9-16(14)18/h4-13H,1-3H3,(H,24,27)(H2,23,25,28) |
| InChIKey | InChI | 1.03 | YZMKNNITNHTADN-UHFFFAOYSA-N |
