| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c3cccc(c2oc(c1c(cccc1)CC(=O)O)cc2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C18H13NO5/c20-18(21)11-12-4-1-2-7-15(12)17-9-8-16(24-17)13-5-3-6-14(10-13)19(22)23/h1-10H,11H2,(H,20,21) |
| InChIKey | InChI | 1.03 | TZJRKMIARISSGE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1ccccc1c2oc(cc2)c3cccc(c3)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1ccccc1c2oc(cc2)c3cccc(c3)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)CC(=O)O)c2ccc(o2)c3cccc(c3)[N+](=O)[O-] |
