| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 11.02 | O=C(O)c1cc2C(=O)c3cc(ccc3Oc2nc1N)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)c1ccc2c(c1)C(=O)c3cc(c(nc3O2)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H14N2O4/c1-7(2)8-3-4-12-9(5-8)13(19)10-6-11(16(20)21)14(17)18-15(10)22-12/h3-7H,1-2H3,(H2,17,18)(H,20,21) |
| InChIKey | InChI | 1.03 | SGRYPYWGNKJSDL-UHFFFAOYSA-N |
