Chem
J-GLOBAL ID：201807012912603626   Nikkaji number：J3.718.683J

1-Phenyl-4-[1-(4-methylphenyl)-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-(4-メチルフェニル)-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： C26H23N5O5
Molecular formula furigana： C26-H23-N5-O5
Molecular weight： 485.500
InChI： InChI=1S/C26H23N5O5/c1-15-10-12-18(13-11-15)31-22(32)19(16(2)29-31)26(14-27)20(23(33)35-3)21(24(34)36-4)30(25(26)28)17-8-6-5-7-9-17/h5-13,19,28H,1-4H3
InChI key： LSRMPHXYFJVFPU-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C(=O)OC)C(C#N)(C2C(=NN(C2=O)c2ccc(C)cc2)C)C(=N)N1c1ccccc1
Systematic name  (3)：
  • 1-フェニル-4-[1-(4-メチルフェニル)-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-1-(4-メチルフェニル)-5-オキソ-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-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-1-phenyl-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Other name (1)：
  • 1-Phenyl-4-[1-(4-methylphenyl)-3-methyl-5-oxo-2-pyrazoline-4-yl]-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester
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