Chem
J-GLOBAL ID：201807011485329031   Nikkaji number：J3.718.687B

1-(4-Methoxyphenyl)-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-メトキシフェニル)-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： C26H22N5[N+]O7[O-]
Molecular formula furigana： C26-H22-N6-O8
Molecular weight： 546.496
InChI： InChI=1S/C26H22N6O8/c1-14-19(22(33)31(29-14)16-5-7-17(8-6-16)32(36)37)26(13-27)20(23(34)39-3)21(24(35)40-4)30(25(26)28)15-9-11-18(38-2)12-10-15/h5-12,19,28H,1-4H3
InChI key： BXOCUAOMZLVXNZ-UHFFFAOYSA-N
SMILES： COC(=O)C1=C(C(=O)OC)C(C#N)(C2C(=NN(C2=O)c2ccc(cc2)[N+](=O)[O-])C)C(=N)N1c1ccc(OC)cc1
Systematic name  (3)：
  • 1-(4-メトキシフェニル)-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-1-(4-メトキシフェニル)-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-5-imino-1-(4-methoxyphenyl)-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-Methoxyphenyl)-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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