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benzoic acid, 4-[(4E)-4,5-dihydro-3-methyl-4-[[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylene]-5-oxo-1H-pyrazol-1-yl]-, ethyl ester
SpectraBase Compound ID 82xx0YOu99K
InChI InChI=1S/C24H20N4O5/c1-3-33-24(30)17-6-8-19(9-7-17)27-23(29)22(16(2)25-27)15-21-5-4-14-26(21)18-10-12-20(13-11-18)28(31)32/h4-15H,3H2,1-2H3/b22-15+
InChIKey YKAKKMJHCJQYME-PXLXIMEGSA-N
Mol Weight 444.45 g/mol
Molecular Formula C24H20N4O5
Exact Mass 444.14337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2oq9upZSsA
Name 4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)-2-pyrrolyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N4O5
InChI InChI=1S/C24H20N4O5/c1-3-33-24(30)17-6-8-19(9-7-17)27-23(29)22(16(2)25-27)15-21-5-4-14-26(21)18-10-12-20(13-11-18)28(31)32/h4-15H,3H2,1-2H3/b22-15+
InChIKey YKAKKMJHCJQYME-PXLXIMEGSA-N
Molecular Weight 444.447 g/mol
SMILES C1(\C(C(=NN1c1ccc(C(=O)OCC)cc1)C)=C\c1[n](-c2ccc(N(=O)=O)cc2)ccc1)=O
SPLASH splash10-0006-9200300000-a114e5085b2e06db9166
Synonyms 4-[(4E)-5-keto-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-2-pyrazolin-1-yl]benzoic acid ethyl ester Ethyl 4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylene]-5-oxo-pyrazol-1-yl]benzoate Ethyl 4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate Ethyl 4-[(4E)-3-methyl-4-[[1-(4-nitrophenyl)pyrrol-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoate
Wiley ID 1464014