| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2c(Cl)cc(NCc1cccnc1)c(C(=O)N)c2 |
| SMILES_CANONICAL | CACTVS | 3.370 | NC(=O)c1cc(c(Cl)cc1NCc2cccnc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | NC(=O)c1cc(c(Cl)cc1NCc2cccnc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cnc1)CNc2cc(c(cc2C(=O)N)[N+](=O)[O-])Cl |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClN4O3/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(15)19)4-12(10)18(20)21/h1-6,17H,7H2,(H2,15,19) |
| InChIKey | InChI | 1.03 | JDBYILINKOTBAJ-UHFFFAOYSA-N |
