| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1cc(ccc1O)N3c2ccccc2C(NC3=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C14H9N3O5/c18-12-6-5-8(7-11(12)17(21)22)16-10-4-2-1-3-9(10)13(19)15-14(16)20/h1-7,18H,(H,15,19,20) |
| InChIKey | InChI | 1.03 | YVQCKIRAVMSRGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1[N+]([O-])=O)N2C(=O)NC(=O)c3ccccc23 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1[N+]([O-])=O)N2C(=O)NC(=O)c3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](=O)[O-])O |
