WEU
概要
| 表記: | 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide |
| 組成式: | C11 H14 Cl N3 O2 |
| 電荷: | 0 |
| 化学式量: | 255.701 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | N'-acetyl-2-[(4-chlorophenyl)(methyl)amino]acetohydrazide (non-preferred name) |
| OpenEye OEToolkits | 2.0.7 | 2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide |
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 | 12.01 | CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H14ClN3O2/c1-8(16)13-14-11(17)7-15(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17) |
| InChIKey | InChI | 1.06 | HVHGXWXMENEHFG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1 |
| SMILES | CACTVS | 3.385 | CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NNC(=O)CN(C)c1ccc(cc1)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NNC(=O)CN(C)c1ccc(cc1)Cl |
