| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1ccc(NCC(O)CN)c2ncccc12 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC[C@H](O)CNc1ccc(c2cccnc12)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | NC[CH](O)CNc1ccc(c2cccnc12)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(ccc(c2nc1)NC[C@H](CN)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(ccc(c2nc1)NCC(CN)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O3/c13-6-8(17)7-15-10-3-4-11(16(18)19)9-2-1-5-14-12(9)10/h1-5,8,15,17H,6-7,13H2/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | MBZPCTWLFNYBND-QMMMGPOBSA-N |
