| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Clc1c(cc(cc1NC(=O)C(=O)O)C#N)NC(=O)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C11H6ClN3O6/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.06 | RVGLGHVJXCETIO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N |
| SMILES | CACTVS | 3.385 | OC(=O)C(=O)Nc1cc(cc(NC(=O)C(O)=O)c1Cl)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1NC(=O)C(=O)O)Cl)NC(=O)C(=O)O)C#N |
