| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cccc(c1)c3nc(cc2c3nccc2)c4ccc(C(=O)O)cc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2cc3cccnc3c(n2)c4cccc(c4)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)c1ccc(cc1)c2cc3cccnc3c(n2)c4cccc(c4)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(cc4)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26) |
| InChIKey | InChI | 1.03 | QTNUWEKKZHSUQO-UHFFFAOYSA-N |
