| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(c1cc(O)c(O)cc1)N/N=C/c3c2ccccc2ccc3OC |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc2ccccc2c1/C=N/NC(=O)c3ccc(O)c(O)c3 |
| SMILES | CACTVS | 3.341 | COc1ccc2ccccc2c1C=NNC(=O)c3ccc(O)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc2ccccc2c1\C=N\NC(=O)c3ccc(c(c3)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc2ccccc2c1C=NNC(=O)c3ccc(c(c3)O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H16N2O4/c1-25-18-9-7-12-4-2-3-5-14(12)15(18)11-20-21-19(24)13-6-8-16(22)17(23)10-13/h2-11,22-23H,1H3,(H,21,24)/b20-11+ |
| InChIKey | InChI | 1.03 | TVOPERZEGKBKAY-RGVLZGJSSA-N |
