| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C23H20N2O3/c1-28-21-14-8-6-11-17(21)19(15-25(26)27)22-18-12-5-7-13-20(18)24-23(22)16-9-3-2-4-10-16/h2-14,19,24H,15H2,1H3/t19-/m0/s1 |
| InChIKey | InChI | 1.06 | RHDQEIKBUOYTCY-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@H](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | COc1ccccc1[CH](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1[C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2c4ccccc4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1C(C[N+](=O)[O-])c2c3ccccc3[nH]c2c4ccccc4 |
