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
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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:
C19 H16 BF2 NO5
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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