| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C23H17F3N2O4/c1-12-14(20(31)19-16(29)8-5-9-17(19)30)10-11-15-18(12)21(32)28(13-6-3-2-4-7-13)22(27-15)23(24,25)26/h2-4,6-7,10-11,29H,5,8-9H2,1H3 |
| InChIKey | InChI | 1.03 | GGGBHWJELOCVAB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(ccc2N=C(N(C(=O)c12)c3ccccc3)C(F)(F)F)C(=O)C4=C(O)CCCC4=O |
| SMILES | CACTVS | 3.385 | Cc1c(ccc2N=C(N(C(=O)c12)c3ccccc3)C(F)(F)F)C(=O)C4=C(O)CCCC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C(=N2)C(F)(F)F)c3ccccc3)C(=O)C4=C(CCCC4=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C(=N2)C(F)(F)F)c3ccccc3)C(=O)C4=C(CCCC4=O)O |
