RJ1
概要
| 表記: | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide |
| 別名: | 2-{[{[amino(imino)methyl]amino}(imino)methyl]amino}-1-chloro-4-(trifluoromethyl)benzene |
| 組成式: | C9 H9 Cl F3 N5 |
| 電荷: | 0 |
| 化学式量: | 279.649 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide |
| OpenEye OEToolkits | 1.5.0 | 3-carbamimidoyl-1-[2-chloro-5-(trifluoromethyl)phenyl]guanidine |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Clc1ccc(cc1NC(=[N@H])NC(=[N@H])N)C(F)(F)F |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NC(=N)Nc1cc(ccc1Cl)C(F)(F)F |
| SMILES | CACTVS | 3.341 | NC(=N)NC(=N)Nc1cc(ccc1Cl)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/N/C(=N\[H])/Nc1cc(ccc1Cl)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NC(=N[H])Nc1cc(ccc1Cl)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C9H9ClF3N5/c10-5-2-1-4(9(11,12)13)3-6(5)17-8(16)18-7(14)15/h1-3H,(H6,14,15,16,17,18) |
| InChIKey | InChI | 1.03 | IGFTZEOFHWPCDL-UHFFFAOYSA-N |
