Chem
J-GLOBAL ID：201807012958804189   Nikkaji number：J3.718.685F

1-Phenyl-4-(1-phenyl-3-methyl-5-oxo-2-pyrazoline-4-yl)-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester

1-フェニル-4-(1-フェニル-3-メチル-5-オキソ-2-ピラゾリン-4-イル)-4-シアノ-5-イミノ-2-ピロリン-2,3-ジカルボン酸ジメチル
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： C25H21N5O5
Molecular formula furigana： C25-H21-N5-O5
Molecular weight： 471.473
InChI： InChI=1S/C25H21N5O5/c1-15-18(21(31)30(28-15)17-12-8-5-9-13-17)25(14-26)19(22(32)34-2)20(23(33)35-3)29(24(25)27)16-10-6-4-7-11-16/h4-13,18,27H,1-3H3
InChI key： AQLBFZBJCUEIDA-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C(=O)OC)C(C#N)(C2C(=NN(C2=O)c2ccccc2)C)C(=N)N1c1ccccc1
Systematic name  (3)：
  • 1-フェニル-4-(1-フェニル-3-メチル-5-オキソ-2-ピラゾリン-4-イル)-4-シアノ-5-イミノ-2-ピロリン-2,3-ジカルボン酸ジメチル
  • 2,3-ジメチル 4-シアノ-5-イミノ-4-(3-メチル-5-オキソ-1-フェニル-4,5-ジヒドロ-1H-ピラゾール-4-イル)-1-フェニル-4,5-ジヒドロ-1H-ピロール-2,3-ジカルボキシラート
  • 2,3-dimethyl 4-cyano-5-imino-4-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-1-phenyl-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Other name (1)：
  • 1-Phenyl-4-(1-phenyl-3-methyl-5-oxo-2-pyrazoline-4-yl)-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester
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