| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C([C@H]=C\C=C\c1ccc([N+](=O)[O-])cc1)=O)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H9NO5/c14-11(12(15)16)4-2-1-3-9-5-7-10(8-6-9)13(17)18/h1-8H,(H,15,16)/b3-1+,4-2+ |
| InChIKey | InChI | 1.03 | YFKMPGYOVOFESP-ZPUQHVIOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=O)/C=C/C=C/c1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)C(=O)C=CC=Cc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1/C=C/C=C/C(=O)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1C=CC=CC(=O)C(=O)O)[N+](=O)[O-] |
