| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c2oc(c1cc(ccc1)CCC(=O)O)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO5/c15-13(16)7-4-9-2-1-3-10(8-9)11-5-6-12(19-11)14(17)18/h1-3,5-6,8H,4,7H2,(H,15,16) |
| InChIKey | InChI | 1.03 | TXMIQTDPWRFHFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1cccc(c1)c2oc(cc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1cccc(c1)c2oc(cc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O |
