| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | n3c2c(cc(c1c(cccc1Cl)OC(F)(F)F)cc2)nc3O |
| InChI | InChI | 1.03 | InChI=1S/C14H8ClF3N2O2/c15-8-2-1-3-11(22-14(16,17)18)12(8)7-4-5-9-10(6-7)20-13(21)19-9/h1-6H,(H2,19,20,21) |
| InChIKey | InChI | 1.03 | COBXSLRIXGQVGS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1[nH]c2cc(ccc2n1)c3c(Cl)cccc3OC(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1[nH]c2cc(ccc2n1)c3c(Cl)cccc3OC(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(c(c1)Cl)c2ccc3c(c2)[nH]c(n3)O)OC(F)(F)F |
