| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 14.52 | O=C(O)CNC(=O)c1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1O |
| InChI | InChI | 1.06 | InChI=1S/C14H12N4O6/c19-10-5-6-11(17-13(10)14(22)15-7-12(20)21)16-8-1-3-9(4-2-8)18(23)24/h1-6,19H,7H2,(H,15,22)(H,16,17)(H,20,21) |
| InChIKey | InChI | 1.06 | ITMKUXMZMOBJES-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1O |
| SMILES | CACTVS | 3.385 | OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+]([O-])=O)ccc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+](=O)[O-] |
