Chem
J-GLOBAL ID：201407090606874781   Nikkaji number：J3.250.243A

9-(Trifluoromethyl)-13-methoxy-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene

9-(トリフルオロメチル)-13-メトキシ-2,3-[1,3]ブタジエノ-6,7-(イミノプロパノ)-4,5-ジヒドロオキセピン-8,10-ジエン
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： C15H12F3NO2
Molecular formula furigana： C15-H12-F3-N-O2
Molecular weight： 295.261
InChI： InChI=1S/C15H12F3NO2/c1-20-11-3-5-13-9(6-11)2-4-12-14(21-13)7-10(8-19-12)15(16,17)18/h3,5-8H,2,4H2,1H3
InChI key： HVDAXWGMMRXLGN-UHFFFAOYSA-N
SMILES： COc1ccc2Oc3cc(cnc3CCc2c1)C(F)(F)F
Systematic name  (3)：
  • 9-(トリフルオロメチル)-13-メトキシ-2,3-[1,3]ブタジエノ-6,7-(イミノプロパノ)-4,5-ジヒドロオキセピン-8,10-ジエン
  • 13-メトキシ-5-(トリフルオロメチル)-2-オキサ-7-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(15),3,5,7,11,13-ヘキサエン
  • 13-methoxy-5-(trifluoromethyl)-2-oxa-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
Other name (1)：
  • 9-(Trifluoromethyl)-13-methoxy-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene
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