Chem
J-GLOBAL ID：200907078790419960   Nikkaji number：J1.490.905B

Y-700

Y-700
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： C16H17N3O3
Molecular formula furigana： C16-H17-N3-O3
Molecular weight： 299.330
InChI： InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)
InChI key： AETHRPHBGJAIBT-UHFFFAOYSA-N
SMILES： CC(C)(C)COc1ccc(cc1C#N)n1cc(cn1)C(=O)O
Systematic name  (3)：
  • 1-[3-シアノ-4-(ネオペンチルオキシ)フェニル]-1H-ピラゾール-4-カルボン酸
  • 1-[3-シアノ-4-(2,2-ジメチルプロポキシ)フェニル]-1H-ピラゾール-4-カルボン酸
  • 1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid
Other name (2)：
  • 1-[3-Cyano-4-(neopentyloxy)phenyl]-1H-pyrazole-4-carboxylic acid
  • Y-700
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