Chem
J-GLOBAL ID：200907040724384597   Nikkaji number：J2.048.106D

2-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-6-methoxyphenoxy]-5-nitrobenzoic 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]-6-メトキシフェノキシ]-5-ニトロ安息香酸
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： C33H28F6N3[N+]O5[O-]
Molecular formula furigana： C33-H28-F6-N4-O6
Molecular weight： 690.599
InChI： InChI=1S/C33H28F6N4O6/c1-48-29-7-2-4-20(30(29)49-28-11-9-24(43(46)47)18-25(28)31(44)45)19-40-22-8-10-27(26(17-22)33(37,38)39)42-14-12-41(13-15-42)23-6-3-5-21(16-23)32(34,35)36/h2-11,16-18,40H,12-15,19H2,1H3,(H,44,45)
InChI key： ALTWSNVETMTKSF-UHFFFAOYSA-N
SMILES： COc1cccc(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c1Oc1ccc(cc1C(=O)O)[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]-6-メトキシフェノキシ]-5-ニトロ安息香酸
  • 2-[2-メトキシ-6-({[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]-5-ニトロ安息香酸
  • 2-[2-methoxy-6-({[3-(trifluoromethyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl]amino}methyl)phenoxy]-5-nitrobenzoic acid
Other name (1)：
  • 2-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-6-methoxyphenoxy]-5-nitrobenzoic acid
Thsaurus map：
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