Chem
J-GLOBAL ID：200907034538416233   Nikkaji number：J377.760J

2-(4-Bromo-2-fluorobenzyl)-5-nitro-2,3-dihydro-3-oxo-1H-indazole-1-acetic acid

2-(4-ブロモ-2-フルオロベンジル)-5-ニトロ-2,3-ジヒドロ-3-オキソ-1H-インダゾール-1-酢酸
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： C16H11BrFN2[N+]O4[O-]
Molecular formula furigana： C16-H11-BR-F-N3-O5
Molecular weight： 424.182
InChI： InChI=1S/C16H11BrFN3O5/c17-10-2-1-9(13(18)5-10)7-20-16(24)12-6-11(21(25)26)3-4-14(12)19(20)8-15(22)23/h1-6H,7-8H2,(H,22,23)
InChI key： XJMLNULZBOUUNR-UHFFFAOYSA-N
SMILES： OC(=O)Cn1n(Cc2ccc(Br)cc2F)c(=O)c2cc(ccc12)[N+](=O)[O-]
Systematic name  (3)：
  • 2-(4-ブロモ-2-フルオロベンジル)-5-ニトロ-2,3-ジヒドロ-3-オキソ-1H-インダゾール-1-酢酸
  • 2-{2-[(4-ブロモ-2-フルオロフェニル)メチル]-5-ニトロ-3-オキソ-2,3-ジヒドロ-1H-インダゾール-1-イル}酢酸
  • 2-{2-[(4-bromo-2-fluorophenyl)methyl]-5-nitro-3-oxo-2,3-dihydro-1H-indazol-1-yl}acetic acid
Other name (1)：
  • 2-(4-Bromo-2-fluorobenzyl)-5-nitro-2,3-dihydro-3-oxo-1H-indazole-1-acetic acid
Thsaurus map：
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