Chem
J-GLOBAL ID：201707015935408741   Nikkaji number：J3.600.858J

(E)-1-(1H-Benzotriazole-1-yl)-1-piperidino-3,4,4-trichloro-2-nitro-1,3-butadiene

(E)-1-(1H-ベンゾトリアゾール-1-イル)-1-ピペリジノ-3,4,4-トリクロロ-2-ニトロ-1,3-ブタジエン
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： C15H14Cl3N4[N+]O[O-]
Molecular formula furigana： C15-H14-CL3-N5-O2
Molecular weight： 402.660
InChI： InChI=1S/C15H14Cl3N5O2/c16-12(14(17)18)13(23(24)25)15(21-8-4-1-5-9-21)22-11-7-3-2-6-10(11)19-20-22/h2-3,6-7H,1,4-5,8-9H2/b15-13+
InChI key： VBDMKQQPIZZLGR-FYWRMAATSA-N
SMILES： [O-][N+](=O)/C(=C(\N1CCCCC1)/n1nnc2ccccc12)/C(=C(Cl)Cl)Cl
Systematic name  (3)：
  • (E)-1-(1H-ベンゾトリアゾール-1-イル)-1-ピペリジノ-3,4,4-トリクロロ-2-ニトロ-1,3-ブタジエン
  • 1-[(1E)-3,4,4-トリクロロ-2-ニトロ-1-(ピペリジン-1-イル)ブタ-1,3-ジエン-1-イル]-1H-1,2,3-ベンゾトリアゾール
  • 1-[(1E)-3,4,4-trichloro-2-nitro-1-(piperidin-1-yl)buta-1,3-dien-1-yl]-1H-1,2,3-benzotriazole
Other name (1)：
  • (E)-1-(1H-Benzotriazole-1-yl)-1-piperidino-3,4,4-trichloro-2-nitro-1,3-butadiene
Thsaurus map：
Thesaurus Map

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