2ZZ
概要
| 表記: | (5Z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one |
| 組成式: | C12 H11 Br N2 O |
| 電荷: | 0 |
| 化学式量: | 279.133 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 | (5Z)-5-(3-bromobenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one |
| OpenEye OEToolkits | 1.7.6 | (5Z)-5-[(3-bromophenyl)methylidene]-2,3-dimethyl-imidazol-4-one |
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 | O=C1C(\N=C(N1C)C)=C\c2cccc(Br)c2 |
| InChI | InChI | 1.03 | InChI=1S/C12H11BrN2O/c1-8-14-11(12(16)15(8)2)7-9-4-3-5-10(13)6-9/h3-7H,1-2H3/b11-7- |
| InChIKey | InChI | 1.03 | GMGJCAXSTZCSRA-XFFZJAGNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C(=NC(=C/c2cccc(Br)c2)\C1=O)C |
| SMILES | CACTVS | 3.385 | CN1C(=NC(=Cc2cccc(Br)c2)C1=O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=N/C(=C\c2cccc(c2)Br)/C(=O)N1C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=NC(=Cc2cccc(c2)Br)C(=O)N1C |
