| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C21H17ClN2O2/c1-2-12-18(15-6-3-4-8-16(15)22)20(21(25)26)24-19(12)14-7-5-9-17-13(14)10-11-23-17/h3-11,23-24H,2H2,1H3,(H,25,26) |
| InChIKey | InChI | 1.03 | DUINDISWGSUWAX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1c2cccc3c2cc[nH]3)C(=O)O)c4ccccc4Cl |
