Chem
J-GLOBAL ID:201907001253187054   Nikkaji number:J3.741.085C

4-[(Z)-3-オキソ-3-(3,4,5-トリメトキシフェニル)-1-[(ジフルオロボリル)オキシ]-1-プロペニル]ベンゾニトリル

4-[(Z)-3-オキソ-3-(3,4,5-トリメトキシフェニル)-1-[(ジフルオロボリル)オキシ]-1-プロペニル]ベンゾニトリル
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: C19H16BF2NO5
Molecular formula furigana: C19-H16-B-F2-N-O5
Molecular weight: 387.150
InChI: InChI=1S/C19H16BF2NO5/c1-25-17-8-14(9-18(26-2)19(17)27-3)15(24)10-16(28-20(21)22)13-6-4-12(11-23)5-7-13/h4-10H,1-3H3/b16-10-
InChI key: FSYLZYIEWMLSHX-YBEGLDIGSA-N
SMILES: c1(ccc(cc1)/C(=C/C(=O)c1cc(c(c(c1)OC)OC)OC)/OB(F)F)C#N
Systematic name  (3):
  • 4-[(Z)-3-オキソ-3-(3,4,5-トリメトキシフェニル)-1-[(ジフルオロボリル)オキシ]-1-プロペニル]ベンゾニトリル
  • (1Z)-1-(4-シアノフェニル)-3-オキソ-3-(3,4,5-トリメトキシフェニル)プロパ-1-エン-1-イルジフルオロボリナート
  • (1Z)-1-(4-cyanophenyl)-3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-en-1-yl difluoroborinate
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