Chem
J-GLOBAL ID：201707006763051138   Nikkaji number：J3.522.170K

3-[3-Chloro-5-[2-[2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-yl)ethoxy]phenoxy]phenyl]propenenitrile

3-[3-クロロ-5-[2-[2-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)エトキシ]フェノキシ]フェニル]プロペンニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H16ClN3O4
Molecular formula furigana： C21-H16-CL-N3-O4
Molecular weight： 409.830
InChI： InChI=1S/C21H16ClN3O4/c22-16-12-15(4-3-8-23)13-17(14-16)29-19-6-2-1-5-18(19)28-11-10-25-9-7-20(26)24-21(25)27/h1-7,9,12-14H,10-11H2,(H,24,26,27)
InChI key： QQWLDKMLZHRQRI-UHFFFAOYSA-N
SMILES： Clc1cc(Oc2ccccc2OCCn2ccc(=O)[nH]c2=O)cc(C=CC#N)c1
Systematic name  (3)：
  • 3-[3-クロロ-5-[2-[2-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)エトキシ]フェノキシ]フェニル]プロペンニトリル
  • 3-(3-クロロ-5-{2-[2-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)エトキシ]フェノキシ}フェニル)プロパ-2-エンニトリル
  • 3-(3-chloro-5-{2-[2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
Other name (1)：
  • 3-[3-Chloro-5-[2-[2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-yl)ethoxy]phenoxy]phenyl]propenenitrile
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