Chem
J-GLOBAL ID：201807020896952553   Nikkaji number：J3.718.692I

1-(4-Ethylphenyl)-4-[1-(4-nitrophenyl)-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-ニトロフェニル)-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： C27H24N5[N+]O6[O-]
Molecular formula furigana： C27-H24-N6-O7
Molecular weight： 544.524
InChI： InChI=1S/C27H24N6O7/c1-5-16-6-8-17(9-7-16)31-22(25(36)40-4)21(24(35)39-3)27(14-28,26(31)29)20-15(2)30-32(23(20)34)18-10-12-19(13-11-18)33(37)38/h6-13,20,29H,5H2,1-4H3
InChI key： XDFHUKVZXGYLPP-UHFFFAOYSA-N
SMILES： CCc1ccc(cc1)N1C(=N)C(C#N)(C2C(=NN(C2=O)c2ccc(cc2)[N+](=O)[O-])C)C(=C1C(=O)OC)C(=O)OC
Systematic name  (3)：
  • 1-(4-エチルフェニル)-4-[1-(4-ニトロフェニル)-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-ニトロフェニル)-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-nitrophenyl)-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-nitrophenyl)-3-methyl-5-oxo-2-pyrazoline-4-yl]-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester
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