| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(N\N=C\c1cc(Br)c(O)c(Br)c1O)c2cccnc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(Br)cc(/C=N/NC(=O)c2cccnc2)c(O)c1Br |
| SMILES | CACTVS | 3.341 | Oc1c(Br)cc(C=NNC(=O)c2cccnc2)c(O)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)C(=O)N/N=C/c2cc(c(c(c2O)Br)O)Br |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)C(=O)NN=Cc2cc(c(c(c2O)Br)O)Br |
| InChI | InChI | 1.03 | InChI=1S/C13H9Br2N3O3/c14-9-4-8(11(19)10(15)12(9)20)6-17-18-13(21)7-2-1-3-16-5-7/h1-6,19-20H,(H,18,21)/b17-6+ |
| InChIKey | InChI | 1.03 | PYVJEAZDEZTGIS-UBKPWBPPSA-N |
