Chem
J-GLOBAL ID：201807009483549250   Nikkaji number：J3.718.682A

1-(4-Methoxyphenyl)-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-メトキシフェニル)-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： C26H23N5O6
Molecular formula furigana： C26-H23-N5-O6
Molecular weight： 501.499
InChI： InChI=1S/C26H23N5O6/c1-15-19(22(32)31(29-15)17-8-6-5-7-9-17)26(14-27)20(23(33)36-3)21(24(34)37-4)30(25(26)28)16-10-12-18(35-2)13-11-16/h5-13,19,28H,1-4H3
InChI key： QRSZKDNNPNGRRS-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C(=O)OC)C(C#N)(C2C(=NN(C2=O)c2ccccc2)C)C(=N)N1c1ccc(OC)cc1
Systematic name  (3)：
  • 1-(4-メトキシフェニル)-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-1-(4-メトキシフェニル)-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-5-imino-1-(4-methoxyphenyl)-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-Methoxyphenyl)-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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