HCID784823

(5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester

ethyl 2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate

C12H10N2O6278.22 g/mol

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O
InChIKey: YWXUNEVKOCEMRO-UHFFFAOYSA-N
分子式: C12H10N2O6
平均分子量: 278.22 g/mol
单同位素质量: 278.05388604

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 110 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 4
重原子: 20
形式电荷: 0
复杂度: 457

ALIASES

名称与别名

共 13 条

Oprea1_482635CBDivE_00950117859-59-5SCHEMBL522710YWXUNEVKOCEMRO-UHFFFAOYSA-NAKOS008906800DB-095974AB00074040-01SR-01000196156SR-01000196156-1ethyl (5-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate(5-Nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester5-Nitro-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid ethyl ester

REACTIONS