| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c3c2cc1OC(=O)C=C(c1cc2ccc3O)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)Oc2cc3c(ccc(O)c3[N+]([O-])=O)cc12 |
| SMILES | CACTVS | 3.370 | CC1=CC(=O)Oc2cc3c(ccc(O)c3[N+]([O-])=O)cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1=CC(=O)Oc2c1cc3ccc(c(c3c2)[N+](=O)[O-])O |
| InChI | InChI | 1.03 | InChI=1S/C14H9NO5/c1-7-4-13(17)20-12-6-10-8(5-9(7)12)2-3-11(16)14(10)15(18)19/h2-6,16H,1H3 |
| InChIKey | InChI | 1.03 | LDFBABFNEAVJKG-UHFFFAOYSA-N |
