Chem
J-GLOBAL ID：200907063226542436   Nikkaji number：J2.048.107B

2-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-6-methoxyphenoxy]-3-nitro-5-chlorobenzoic 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]-3-ニトロ-5-クロロ安息香酸
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： C33H27ClF6N3[N+]O5[O-]
Molecular formula furigana： C33-H27-CL-F6-N4-O6
Molecular weight： 725.040
InChI： InChI=1S/C33H27ClF6N4O6/c1-49-28-7-2-4-19(29(28)50-30-24(31(45)46)15-21(34)16-27(30)44(47)48)18-41-22-8-9-26(25(17-22)33(38,39)40)43-12-10-42(11-13-43)23-6-3-5-20(14-23)32(35,36)37/h2-9,14-17,41H,10-13,18H2,1H3,(H,45,46)
InChI key： CYEFUGRUAVPCQA-UHFFFAOYSA-N
SMILES： COc1cccc(CNc2ccc(N3CCN(CC3)c3cccc(c3)C(F)(F)F)c(c2)C(F)(F)F)c1Oc1c(cc(Cl)cc1[N+](=O)[O-])C(=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]-3-ニトロ-5-クロロ安息香酸
  • 5-クロロ-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]-3-ニトロ安息香酸
  • 5-chloro-2-[2-methoxy-6-({[3-(trifluoromethyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl]amino}methyl)phenoxy]-3-nitrobenzoic acid
Other name (1)：
  • 2-[2-[3-(Trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazino]phenylaminomethyl]-6-methoxyphenoxy]-3-nitro-5-chlorobenzoic acid
Thsaurus map：
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