| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1c(O)ccc(c1)\C=C3/S/C(=N\c2c(Cl)cccc2)NC3=O |
| InChI | InChI | 1.03 | InChI=1S/C16H10ClN3O4S/c17-10-3-1-2-4-11(10)18-16-19-15(22)14(25-16)8-9-5-6-13(21)12(7-9)20(23)24/h1-8,21H,(H,18,19,22)/b14-8- |
| InChIKey | InChI | 1.03 | SHXHWOPEFBMMKJ-ZSOIEALJSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(\C=C\2SC(NC\2=O)=Nc3ccccc3Cl)cc1[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | Oc1ccc(C=C2SC(NC2=O)=Nc3ccccc3Cl)cc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)[N+](=O)[O-])O)/S2)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)[N+](=O)[O-])O)S2)Cl |
