Chem
J-GLOBAL ID:201807015039974832
Nikkaji number:J3.718.679A
1-(4-Methylphenyl)-4-(1-phenyl-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-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
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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:
C26 H23 N5 O5
Molecular formula furigana:
C26-H23-N5-O5
Molecular weight:
485.500
InChI:
InChI=1S/C26H23N5O5/c1-15-10-12-17(13-11-15)30-21(24(34)36-4)20(23(33)35-3)26(14-27,25(30)28)19-16(2)29-31(22(19)32)18-8-6-5-7-9-18/h5-13,19,28H,1-4H3
InChI key:
PWVKYFZVQBYSGE-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C(=O)OC)C(C#N)(C2C(=NN(C2=O)c2ccccc2)C)C(=N)N1c1ccc(C)cc1
Systematic name (3):
1-(4-メチルフェニル)-4-(1-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-5-オキソ-1-フェニル-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-5-oxo-1-phenyl-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-phenyl-3-methyl-5-oxo-2-pyrazoline-4-yl)-4-cyano-5-imino-2-pyrroline-2,3-dicarboxylic acid dimethyl ester
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