| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1)CNc2ccc(cc2C(=O)N)[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc(ccc1NCc2ccc(cc2)C(O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | NC(=O)c1cc(ccc1NCc2ccc(cc2)C(O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H13N3O5/c16-14(19)12-7-11(18(22)23)5-6-13(12)17-8-9-1-3-10(4-2-9)15(20)21/h1-7,17H,8H2,(H2,16,19)(H,20,21) |
| InChIKey | InChI | 1.03 | CASBTGCUPQIBNJ-UHFFFAOYSA-N |
