| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1nc(cc1C(=O)O)c1cc(CNC(=O)c2cc(Br)ccc2O)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C19H16BrN3O4/c1-23-16(19(26)27)9-15(22-23)12-4-2-3-11(7-12)10-21-18(25)14-8-13(20)5-6-17(14)24/h2-9,24H,10H2,1H3,(H,21,25)(H,26,27) |
| InChIKey | InChI | 1.06 | JYLMGLYHQIVVHF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(cc1C(O)=O)c2cccc(CNC(=O)c3cc(Br)ccc3O)c2 |
| SMILES | CACTVS | 3.385 | Cn1nc(cc1C(O)=O)c2cccc(CNC(=O)c3cc(Br)ccc3O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)c2cccc(c2)CNC(=O)c3cc(ccc3O)Br)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)c2cccc(c2)CNC(=O)c3cc(ccc3O)Br)C(=O)O |
