| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(cc1)\C=C\c2ccc(N(C)CCCCC(=O)O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CCCCC(O)=O)c1ccc(\C=C\c2ccc(cc2)[N+]([O-])=O)cc1 |
| SMILES | CACTVS | 3.341 | CN(CCCCC(O)=O)c1ccc(C=Cc2ccc(cc2)[N+]([O-])=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(CCCCC(=O)O)c1ccc(cc1)\C=C\c2ccc(cc2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(CCCCC(=O)O)c1ccc(cc1)C=Cc2ccc(cc2)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C20H22N2O4/c1-21(15-3-2-4-20(23)24)18-11-7-16(8-12-18)5-6-17-9-13-19(14-10-17)22(25)26/h5-14H,2-4,15H2,1H3,(H,23,24)/b6-5+ |
| InChIKey | InChI | 1.03 | QLLZAVDYYAQESE-AATRIKPKSA-N |
