Chem
J-GLOBAL ID:200907050835472768   Nikkaji number:J2.683.110E

1-(Hexylimino)-3-(trifluoromethyl)-6-(methoxycarbonyl)-2-oxa-3a-azonia-4-azaindan-3-ide

1-(ヘキシルイミノ)-3-(トリフルオロメチル)-6-(メトキシカルボニル)-2-オキサ-3a-アゾニア-4-アザインダン-3-イド
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: C14[C-]H18F3N2[N+]O3
Molecular formula furigana: C15-H18-F3-N3-O3
Molecular weight: 345.322
InChI: InChI=1S/C15H18F3N3O3/c1-3-4-5-6-7-19-12-11-8-10(13(22)23-2)9-20-21(11)14(24-12)15(16,17)18/h8-9H,3-7H2,1-2H3
InChI key: VVWWPESPNHGREE-UHFFFAOYSA-N
SMILES: CCCCCCN=C1O[C-]([n+]2ncc(cc12)C(=O)OC)C(F)(F)F
Systematic name  (3):
  • 1-(ヘキシルイミノ)-3-(トリフルオロメチル)-6-(メトキシカルボニル)-2-オキサ-3a-アゾニア-4-アザインダン-3-イド
  • 5-(ヘキシルイミノ)-3-(メトキシカルボニル)-7-(トリフルオロメチル)-5H,7H-8λ5-[1,3]オキサゾロ[3,4-b]ピリダジン-8-イリウム-7-イド
  • 5-(hexylimino)-3-(methoxycarbonyl)-7-(trifluoromethyl)-5H,7H-8λ5-[1,3]oxazolo[3,4-b]pyridazin-8-ylium-7-ide
Other name (1):
  • 1-(Hexylimino)-3-(trifluoromethyl)-6-(methoxycarbonyl)-2-oxa-3a-azonia-4-azaindan-3-ide
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