Chem
J-GLOBAL ID：201407053353256633   Nikkaji number：J3.250.242C

9-(Trifluoromethyl)-13-fluoro-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-フルオロ-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： C14H9F4NO
Molecular formula furigana： C14-H9-F4-N-O
Molecular weight： 283.226
InChI： InChI=1S/C14H9F4NO/c15-10-2-4-12-8(5-10)1-3-11-13(20-12)6-9(7-19-11)14(16,17)18/h2,4-7H,1,3H2
InChI key： SHYIVKZXOFEVOQ-UHFFFAOYSA-N
SMILES： Fc1ccc2Oc3cc(cnc3CCc2c1)C(F)(F)F
Systematic name  (3)：
  • 9-(トリフルオロメチル)-13-フルオロ-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-フルオロ-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-fluoro-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-fluoro-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene
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