| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)cc(Oc2ncccn2)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c3ccc(Cl)cc3Cl |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc(Oc2ncccn2)ccc1NC(=O)c3ccc(Cl)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cnc(nc1)Oc2ccc(c(c2)C(=O)O)NC(=O)c3ccc(cc3Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26) |
| InChIKey | InChI | 1.03 | VNDRRWBKNSHALL-UHFFFAOYSA-N |
