| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Oc1nc(/C=C/c2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C13H7Cl2F3N2O/c14-8-3-1-7(10(15)5-8)2-4-9-6-11(13(16,17)18)20-12(21)19-9/h1-6H,(H,19,20,21)/b4-2+ |
| InChIKey | InChI | 1.06 | MMOUYBCDJMEUFG-DUXPYHPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1nc(\C=C\c2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Oc1nc(C=Cc2ccc(Cl)cc2Cl)cc(n1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)Cl)/C=C/c2cc(nc(n2)O)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Cl)Cl)C=Cc2cc(nc(n2)O)C(F)(F)F |
