HCID14368401

3-(2-Methoxycarbonylamino-6-methylbenzyloxy)-2-nitropyridine

methyl N-[3-methyl-2-[(2-nitro-3-pyridinyl)oxymethyl]phenyl]carbamate

C15H15N3O5317.3 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)Nc1cccc(C)c1COc1cccnc1[N+](=O)[O-]
InChIKey: SVVBRDNBSIULKL-UHFFFAOYSA-N
分子式: C15H15N3O5
平均分子量: 317.3 g/mol
单同位素质量: 317.10117059

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 106 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 23
形式电荷: 0
复杂度: 414

ALIASES

名称与别名

共 4 条

SCHEMBL9687480SVVBRDNBSIULKL-UHFFFAOYSA-N3-(2-methoxycarbonylamino-6-methylbenzyloxy)-2nitropyridine3-(2-methoxycarbonylamino-6-methylbenzyloxy)-2-nitropyridine

REACTIONS

参与反应

4 条

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1989_05 · 10.6084/m9.figshare.5104873.v1 · US04831041

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uspto-grants-1989_05 · 10.6084/m9.figshare.5104873.v1 · US04831041

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