| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | BrC(Br)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](NC(=O)C(Br)Br)[C@H](O)c1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC[CH](NC(=O)C(Br)Br)[CH](O)c1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C(CO)NC(=O)C(Br)Br)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C11H12Br2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 |
| InChIKey | InChI | 1.03 | UWOHGNMWBGIRAQ-RKDXNWHRSA-N |
