| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [N-]=[N+]=C\C(=O)C(NC(=O)CN)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | NCC(=O)N[C@@H](Cc1ccccc1)C(=O)C=[N+]=[N-] |
| SMILES | CACTVS | 3.370 | NCC(=O)N[CH](Cc1ccccc1)C(=O)C=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)CN |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(C(=O)C=[N+]=[N-])NC(=O)CN |
| InChI | InChI | 1.03 | InChI=1S/C12H14N4O2/c13-7-12(18)16-10(11(17)8-15-14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7,13H2,(H,16,18)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | CBOIZHHBFFTMCQ-JTQLQIEISA-N |
