Chem
J-GLOBAL ID：201807015907428807   Nikkaji number：J3.718.680E

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

1-(4-エチルフェニル)-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： C27H25N5O5
Molecular formula furigana： C27-H25-N5-O5
Molecular weight： 499.527
InChI： InChI=1S/C27H25N5O5/c1-5-17-11-13-18(14-12-17)31-22(25(35)37-4)21(24(34)36-3)27(15-28,26(31)29)20-16(2)30-32(23(20)33)19-9-7-6-8-10-19/h6-14,20,29H,5H2,1-4H3
InChI key： MZIOHXICGMXABX-UHFFFAOYSA-N
SMILES： CCc1ccc(cc1)N1C(=N)C(C#N)(C2C(=NN(C2=O)c2ccccc2)C)C(=C1C(=O)OC)C(=O)OC
Systematic name  (3)：
  • 1-(4-エチルフェニル)-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-1-(4-エチルフェニル)-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)-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-1-(4-ethylphenyl)-5-imino-4-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Other name (1)：
  • 1-(4-Ethylphenyl)-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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