Chem
J-GLOBAL ID：202007007351319731   Nikkaji number：J3.755.661K

[2-(pyren-1-ylformamido)ethyl]imino 2,2,2-trifluoroacetate

[2-(ピレン-1-イルホルムアミド)エチル]イミノ2,2,2-トリフルオロアセタート
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： C21H16F3N2O3
Molecular formula furigana： C21-H16-F3-N2-O3
Molecular weight： 401.365
InChI： InChI=1S/C21H16F3N2O3/c22-21(23,24)20(28)29-26-11-10-25-19(27)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)18(14)17(12)13/h1-9H,10-11,26H2,(H,25,27)
InChI key： PPMBTUOBZMFITP-UHFFFAOYSA-N
SMILES： c1cc2c3c(c1C(=O)NCC[NH2+][O-]C(=O)C(F)(F)F)ccc1c3c(cc2)ccc1
Systematic name  (3)：
  • N-[2-(トリフルオロメチルカルボキシラトアンモニオ)エチル]-1-ピレンカルボアミド
  • {2-[(ピレン-1-イル)ホルムアミド]エチル}イミノ2,2,2-トリフルオロアセタート
  • {2-[(pyren-1-yl)formamido]ethyl}imino 2,2,2-trifluoroacetate
Other name (2)：
  • [2-(ピレン-1-イルホルムアミド)エチル]イミノ2,2,2-トリフルオロアセタート
  • [2-(pyren-1-ylformamido)ethyl]imino 2,2,2-trifluoroacetate
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