| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c2c(ccc1OCCOc12)CN4c3ccc(Br)cc3C(=O)C4=O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1c(CN2C(=O)C(=O)c3cc(Br)ccc23)ccc4OCCOc14 |
| SMILES | CACTVS | 3.370 | OC(=O)c1c(CN2C(=O)C(=O)c3cc(Br)ccc23)ccc4OCCOc14 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4 |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc2c(cc1Br)C(=O)C(=O)N2Cc3ccc4c(c3C(=O)O)OCCO4 |
| InChI | InChI | 1.03 | InChI=1S/C18H12BrNO6/c19-10-2-3-12-11(7-10)15(21)17(22)20(12)8-9-1-4-13-16(14(9)18(23)24)26-6-5-25-13/h1-4,7H,5-6,8H2,(H,23,24) |
| InChIKey | InChI | 1.03 | ALXMSKACQCRMOE-UHFFFAOYSA-N |
