| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2c(NCCCO)cc(NCc1cccnc1)c(C(=O)N)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc(c(NCCCO)cc1NCc2cccnc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | NC(=O)c1cc(c(NCCCO)cc1NCc2cccnc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])NCCCO |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5O4/c17-16(23)12-7-15(21(24)25)14(19-5-2-6-22)8-13(12)20-10-11-3-1-4-18-9-11/h1,3-4,7-9,19-20,22H,2,5-6,10H2,(H2,17,23) |
| InChIKey | InChI | 1.03 | IFKSVNMHRIABRM-UHFFFAOYSA-N |
