HCID13388340

2-Hydroxymethyl-6-methyl-4-(nitrophenyl)-3,5-diethoxycarbonyl-1,4-dihydropyridine

diethyl 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

C19H22N2O7390.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)C1=C(C)NC(CO)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-]
InChIKey: WETKAHLRUYEKFK-UHFFFAOYSA-N
分子式: C19H22N2O7
平均分子量: 390.4 g/mol
单同位素质量: 390.14270105

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 131 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 8
重原子: 28
形式电荷: 0
复杂度: 693

ALIASES

名称与别名

共 5 条

SCHEMBL7379595WETKAHLRUYEKFK-UHFFFAOYSA-N2-Hydroxymethyl-6-methyl-4-(nitrophenyl)-3,5-diethoxycarbonyl-1,4-dihydropyridinediethyl 2-methyl-4-(2-nitrophenyl)-6-hydroxymethyl-1,4-dihydropyridine-3,5-dicarboxylatediethyl 2-methyl-4-(2-nitrophenyl)-6-hyroxymethyl-1,4-dihydropyridine-3,5-dicarboxylate

REACTIONS