| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=Cc1ncc(Br)cc1OCc1ccc(Cl)c(c1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C13H8BrClN2O4/c14-9-4-13(11(6-18)16-5-9)21-7-8-1-2-10(15)12(3-8)17(19)20/h1-6H,7H2 |
| InChIKey | InChI | 1.06 | CNGABJMZUSIMFZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cc(COc2cc(Br)cnc2C=O)ccc1Cl |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cc(COc2cc(Br)cnc2C=O)ccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1COc2cc(cnc2C=O)Br)[N+](=O)[O-])Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1COc2cc(cnc2C=O)Br)[N+](=O)[O-])Cl |
