Chem
J-GLOBAL ID：201807011206092566   Nikkaji number：J3.718.691K

1-(4-Methylphenyl)-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： C26H22N5[N+]O6[O-]
Molecular formula furigana： C26-H22-N6-O7
Molecular weight： 530.497
InChI： InChI=1S/C26H22N6O7/c1-14-5-7-16(8-6-14)30-21(24(35)39-4)20(23(34)38-3)26(13-27,25(30)28)19-15(2)29-31(22(19)33)17-9-11-18(12-10-17)32(36)37/h5-12,19,28H,1-4H3
InChI key： XKAZINCRVLXAFX-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(C)cc1
Systematic name  (3)：
  • 1-(4-メチルフェニル)-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-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-メチルフェニル)-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-methylphenyl)-4,5-dihydro-1H-pyrrole-2,3-dicarboxylate
Other name (1)：
  • 1-(4-Methylphenyl)-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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