| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2/t16-/m0/s1 |
| InChIKey | InChI | 1.06 | RYOZXDJCTOEOFN-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O-][N+](=O)C[C@@H](c1occc1)c2c([nH]c3ccccc23)c4ccccc4 |
| SMILES | CACTVS | 3.385 | [O-][N+](=O)C[CH](c1occc1)c2c([nH]c3ccccc23)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c3ccccc3[nH]2)[C@@H](C[N+](=O)[O-])c4ccco4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c3ccccc3[nH]2)C(C[N+](=O)[O-])c4ccco4 |
