| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c3c(c2c(n1)ccc(c2)I)nc4c3cccc4Br |
| InChI | InChI | 1.03 | InChI=1S/C16H8BrIN2O2/c17-10-3-1-2-8-12-14(20-13(8)10)9-6-7(18)4-5-11(9)19-15(12)16(21)22/h1-6,20H,(H,21,22) |
| InChIKey | InChI | 1.03 | WYQPGNJIFZHADC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1nc2ccc(I)cc2c3[nH]c4c(Br)cccc4c13 |
| SMILES | CACTVS | 3.385 | OC(=O)c1nc2ccc(I)cc2c3[nH]c4c(Br)cccc4c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c3c(c4cc(ccc4nc3C(=O)O)I)[nH]c2c(c1)Br |
