HCID329608

Ethyl 1-methyl-2-nitro-1H-imidazole-5-carboxylate

ethyl 3-methyl-2-nitroimidazole-4-carboxylate

C7H9N3O4199.16 g/molCAS 39070-13-8

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCOC(=O)c1cnc([N+](=O)[O-])n1C
InChIKey: VRARWXJAWCRJCX-UHFFFAOYSA-N
分子式: C7H9N3O4
平均分子量: 199.16 g/mol
单同位素质量: 199.05930578

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 89.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 3
重原子: 14
形式电荷: 0
复杂度: 240

ALIASES

名称与别名

共 19 条

39070-13-8Ethyl 1-methyl-2-nitro-1H-imidazole-5-carboxylateETHYL 3-METHYL-2-NITRO-3H-IMIDAZOLE-4-CARBOXYLATEethyl 3-methyl-2-nitroimidazole-4-carboxylateEthyl 1-Methyl-2-nitroiMidazole-5-carboxylateMFCD17926380NSC3133985-carbethoxy-1-methyl-2-nitroimidazoleSCHEMBL1978459DTXSID60317247VRARWXJAWCRJCX-UHFFFAOYSA-NAKOS027252914NSC-313398AS-37786SY242479DB-095925ethyl 3-methyl-2-nitro-imidazole-4-carboxylateEthyl1-methyl-2-nitro-1H-imidazole-5-carboxylateF468484

REACTIONS

参与反应

3 条

uspto-grants-1976_05 · 10.6084/m9.figshare.5104873.v1 · US03954789

查看

uspto-grants-1976_10 · 10.6084/m9.figshare.5104873.v1 · US03987053

查看

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看