Chem
J-GLOBAL ID：200907060426560693   Nikkaji number：J2.048.111K

2-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-4-nitrophenoxy]benzoic acid

2-[2-[3-(トリフルオロメチル)-4-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニルアミノメチル]-4-ニトロフェノキシ]安息香酸
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： C32H26F6N3[N+]O4[O-]
Molecular formula furigana： C32-H26-F6-N4-O5
Molecular weight： 660.573
InChI： InChI=1S/C32H26F6N4O5/c33-31(34,35)21-4-3-5-23(17-21)40-12-14-41(15-13-40)27-10-8-22(18-26(27)32(36,37)38)39-19-20-16-24(42(45)46)9-11-28(20)47-29-7-2-1-6-25(29)30(43)44/h1-11,16-18,39H,12-15,19H2,(H,43,44)
InChI key： KXKIQPLIGRBCQM-UHFFFAOYSA-N
SMILES： OC(=O)c1ccccc1Oc1ccc(cc1CNc1ccc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(c1)C(F)(F)F)[N+](=O)[O-]
Systematic name  (3)：
  • 2-[2-[3-(トリフルオロメチル)-4-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニルアミノメチル]-4-ニトロフェノキシ]安息香酸
  • 2-[4-ニトロ-2-({[3-(トリフルオロメチル)-4-{4-[3-(トリフルオロメチル)フェニル]ピペラジン-1-イル}フェニル]アミノ}メチル)フェノキシ]安息香酸
  • 2-[4-nitro-2-({[3-(trifluoromethyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl]amino}methyl)phenoxy]benzoic acid
Other name (1)：
  • 2-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-4-nitrophenoxy]benzoic acid
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