| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C(C)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.341 | CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1cc(ccc1O)/N=N/c2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)c1cc(ccc1O)N=Nc2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H18N2O3/c1-17(2,3)13-10-11(8-9-15(13)20)18-19-14-7-5-4-6-12(14)16(21)22/h4-10,20H,1-3H3,(H,21,22)/b19-18+ |
| InChIKey | InChI | 1.03 | RLAQYNIYEMUFPA-VHEBQXMUSA-N |
