| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc(cc(c1)NC(=O)CBr)NC(=O)CBr)CBr |
| InChI | InChI | 1.03 | InChI=1S/C12H12Br3N3O3/c13-4-10(19)16-7-1-8(17-11(20)5-14)3-9(2-7)18-12(21)6-15/h1-3H,4-6H2,(H,16,19)(H,17,20)(H,18,21) |
| InChIKey | InChI | 1.03 | ZGENBODMIMDNJM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | BrCC(=O)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1 |
| SMILES | CACTVS | 3.385 | BrCC(=O)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(cc(cc1NC(=O)CBr)NC(=O)CBr)NC(=O)CBr |
