| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)/C(=C\c1oc(cc1)c2cccc(C(=O)O)c2)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC\C(=C\c1oc(cc1)c2cccc(c2)C(O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CCCC(=Cc1oc(cc1)c2cccc(c2)C(O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C16H15NO5/c1-2-4-13(17(20)21)10-14-7-8-15(22-14)11-5-3-6-12(9-11)16(18)19/h3,5-10H,2,4H2,1H3,(H,18,19)/b13-10- |
| InChIKey | InChI | 1.03 | IRHZCQDCMUWUKV-RAXLEYEMSA-N |
