HCID690570

Methyl 3-[(dipropylamino)carbonyl]-5-nitrobenzoate

methyl 3-(dipropylcarbamoyl)-5-nitrobenzoate

C15H20N2O5308.33 g/mol

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IDENTITY

结构与身份

标准SMILES: CCCN(CCC)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1
InChIKey: MGIBHBWBGQVHLS-UHFFFAOYSA-N
分子式: C15H20N2O5
平均分子量: 308.33 g/mol
单同位素质量: 308.13722174

COMPUTED

结构计算性质

已同步

XLogP: 2.9
极性表面积: 92.4 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 7
重原子: 22
形式电荷: 0
复杂度: 401

ALIASES

名称与别名

共 9 条

methyl 3-[(dipropylamino)carbonyl]-5-nitrobenzoateOprea1_574306SCHEMBL3853810MGIBHBWBGQVHLS-UHFFFAOYSA-NAKOS001072416ST008894methyl 3-(N,N-dipropylcarbamoyl)-5-nitrobenzoate5-nitro-N,N-dipropyl-isophthalamic acid methyl esterZ31777733

REACTIONS

参与反应

24 条

uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07727997B2

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uspto-grants-2010_06 · 10.6084/m9.figshare.5104873.v1 · US07727997B2

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07176242B2

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uspto-grants-2007_02 · 10.6084/m9.figshare.5104873.v1 · US07176242B2

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uspto-grants-2009_09 · 10.6084/m9.figshare.5104873.v1 · US07585885B2

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