| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Brc2ccc(NC(=O)NC(c1cccc(\C(=N\O)C)c1)(C)C)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+ |
| InChIKey | InChI | 1.03 | DSTKQECXQMKQLN-WSDLNYQXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Br)cc2 |
| SMILES | CACTVS | 3.385 | CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=N\O)/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=NO)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Br |
