| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Brc1ccc(cc1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H13BrClNO4/c17-11-3-1-10(2-4-11)8-19-16(22)13-6-5-12(18)7-14(13)23-9-15(20)21/h1-7H,8-9H2,(H,19,22)(H,20,21) |
| InChIKey | InChI | 1.03 | PAOIFRPAIJVWIK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)COc1cc(Cl)ccc1C(=O)NCc2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1CNC(=O)c2ccc(cc2OCC(=O)O)Cl)Br |
