| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=Cc1c(O)c([N+](=O)[O-])cc(c1)Cc2c(Cl)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H10ClNO4/c15-12-4-2-1-3-10(12)5-9-6-11(8-17)14(18)13(7-9)16(19)20/h1-4,6-8,18H,5H2 |
| InChIKey | InChI | 1.03 | WWNPAYUIEZTOAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(C=O)cc(Cc2ccccc2Cl)cc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Oc1c(C=O)cc(Cc2ccccc2Cl)cc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)Cc2cc(c(c(c2)[N+](=O)[O-])O)C=O)Cl |
