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3H-Pyrazol-3-one, 2,4-dihydro-4-[[5-hydroxy-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylene]-5-methyl-2-(4-nitrophenyl)-

View entire compound with spectra: 1 MS (GC)

3H-Pyrazol-3-one, 2,4-dihydro-4-[[5-hydroxy-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylene]-5-methyl-2-(4-nitrophenyl)-
SpectraBase Compound ID CgxxGMYriUk
InChI InChI=1S/C21H16N6O6/c1-12-18(20(28)24(22-12)14-3-7-16(8-4-14)26(30)31)11-19-13(2)23-25(21(19)29)15-5-9-17(10-6-15)27(32)33/h3-11,28H,1-2H3/b19-11+
InChIKey FNOYICKQCQKXFA-YBFXNURJSA-N
Mol Weight 448.4 g/mol
Molecular Formula C21H16N6O6
Exact Mass 448.113132 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYUAjUeuHaW
Name 3H-Pyrazol-3-one, 2,4-dihydro-4-[[5-hydroxy-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylene]-5-methyl-2-(4-nitrophenyl)-
CAS Registry Number 110448-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N6O6
InChI InChI=1S/C21H16N6O6/c1-12-18(20(28)24(22-12)14-3-7-16(8-4-14)26(30)31)11-19-13(2)23-25(21(19)29)15-5-9-17(10-6-15)27(32)33/h3-11,28H,1-2H3/b19-11+
InChIKey FNOYICKQCQKXFA-YBFXNURJSA-N
Molecular Weight 448.395 g/mol
SMILES Oc1[n](-c2ccc(N(=O)=O)cc2)nc(c1\C=C\1C(N(c2ccc(N(=O)=O)cc2)N=C1C)=O)C
SPLASH splash10-0002-0110900000-55aa2e23359de3a5cb74
Source of Spectrum Y-23-783-5
Synonyms (4E)-4-{[5-hydroxy-3-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one 4-{[5-hydrozy-3-methyl-1-(4-nitrophenyl)-2-pyrazolyl]methylen}-3-methyl-1-(4-nitropheny)-2-pyrazolin-5-on
Wiley ID 1387081