| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C17H15BrFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2 |
| InChIKey | InChI | 1.06 | FQVUNCPEBISRLX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)c1cc(ccc1Br)C(=O)N2CCN(CC2)c3ccccc3F |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)c1cc(ccc1Br)C(=O)N2CCN(CC2)c3ccccc3F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Br)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(c(c3)[N+](=O)[O-])Br)F |
