Chem
J-GLOBAL ID：201807002901192726   Nikkaji number：J3.718.684H

1-(4-Ethylphenyl)-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-(4-エチルフェニル)-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： C28H27N5O5
Molecular formula furigana： C28-H27-N5-O5
Molecular weight： 513.554
InChI： InChI=1S/C28H27N5O5/c1-6-18-9-13-19(14-10-18)32-23(26(36)38-5)22(25(35)37-4)28(15-29,27(32)30)21-17(3)31-33(24(21)34)20-11-7-16(2)8-12-20/h7-14,21,30H,6H2,1-5H3
InChI key： TVIHBOAOZABIHQ-UHFFFAOYSA-N
SMILES： CCc1ccc(cc1)N1C(=N)C(C#N)(C2C(=NN(C2=O)c2ccc(C)cc2)C)C(=C1C(=O)OC)C(=O)OC
Systematic name  (3)：
  • 1-(4-エチルフェニル)-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-1-(4-エチルフェニル)-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]-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-1-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Other name (1)：
  • 1-(4-Ethylphenyl)-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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