| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)COC(=O)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]([C@@H](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | O[CH]([CH](COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H]([C@@H](COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C(COC(=O)CCC(=O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | LIRCDOVJWUGTMW-ZWNOBZJWSA-N |
