Chem
J-GLOBAL ID：200907063871201546   Nikkaji number：J2.048.104H

N-[2-(Trifluoromethyl)-4-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazino]phenyl]-β-alanine

N-[2-(トリフルオロメチル)-4-ニトロ-5-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニル]-β-アラニン
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： C21H20F6N3[N+]O3[O-]
Molecular formula furigana： C21-H20-F6-N4-O4
Molecular weight： 506.405
InChI： InChI=1S/C21H20F6N4O4/c22-20(23,24)13-2-1-3-14(10-13)29-6-8-30(9-7-29)17-12-16(28-5-4-19(32)33)15(21(25,26)27)11-18(17)31(34)35/h1-3,10-12,28H,4-9H2,(H,32,33)
InChI key： GTJWSVIQRCGMJS-UHFFFAOYSA-N
SMILES： OC(=O)CCNc1cc(N2CCN(CC2)c2cccc(c2)C(F)(F)F)c(cc1C(F)(F)F)[N+](=O)[O-]
Systematic name  (3)：
  • N-[2-(トリフルオロメチル)-4-ニトロ-5-[4-[3-(トリフルオロメチル)フェニル]ピペラジノ]フェニル]-β-アラニン
  • 3-{[4-ニトロ-2-(トリフルオロメチル)-5-{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}プロパン酸
  • 3-{[4-nitro-2-(trifluoromethyl)-5-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl]amino}propanoic acid
Other name (1)：
  • N-[2-(Trifluoromethyl)-4-nitro-5-[4-[3-(trifluoromethyl)phenyl]piperazino]phenyl]-β-alanine
Thsaurus map：
Thesaurus Map

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