| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Brc1ccc\2c(c1)NC(=O)C/2=C4\C(=N\O)\c3ccccc3N4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O/N=C1/C(Nc2ccccc12)=C3/C(=O)Nc4cc(Br)ccc34 |
| SMILES | CACTVS | 3.341 | ON=C1C(Nc2ccccc12)=C3C(=O)Nc4cc(Br)ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C(=NO)C(=C3c4ccc(cc4NC3=O)Br)N2 |
| InChI | InChI | 1.03 | InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+ |
| InChIKey | InChI | 1.03 | DDLZLOKCJHBUHD-WAVHTBQISA-N |
