Chem
J-GLOBAL ID：201807003130268101   Nikkaji number：J3.718.693G

1-(4-Propylphenyl)-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-プロピルフェニル)-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： C28H26N5[N+]O6[O-]
Molecular formula furigana： C28-H26-N6-O7
Molecular weight： 558.551
InChI： InChI=1S/C28H26N6O7/c1-5-6-17-7-9-18(10-8-17)32-23(26(37)41-4)22(25(36)40-3)28(15-29,27(32)30)21-16(2)31-33(24(21)35)19-11-13-20(14-12-19)34(38)39/h7-14,21,30H,5-6H2,1-4H3
InChI key： XXMWBWPUKHSXKY-UHFFFAOYSA-N
SMILES： CCCc1ccc(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-プロピルフェニル)-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-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]-1-(4-プロピルフェニル)-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-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]-1-(4-propylphenyl)-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Other name (1)：
  • 1-(4-Propylphenyl)-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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