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3H-pyrazol-3-one, 4-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylene]-2-(5-chloro-2-nitrophenyl)-2,4-dihydro-5-methyl-, (4Z)-
SpectraBase Compound ID 2FiXSq6EeZM
InChI InChI=1S/C22H15Cl2N3O4/c1-12-16(4-3-5-18(12)24)21-9-7-15(31-21)11-17-13(2)25-26(22(17)28)20-10-14(23)6-8-19(20)27(29)30/h3-11H,1-2H3/b17-11-
InChIKey SBKXEJAKISCTBF-BOPFTXTBSA-N
Mol Weight 456.29 g/mol
Molecular Formula C22H15Cl2N3O4
Exact Mass 455.043961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CuAnomjCt8
Name (4Z)-4-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methylidene]-2-(5-chloranyl-2-nitro-phenyl)-5-methyl-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15Cl2N3O4
InChI InChI=1S/C22H15Cl2N3O4/c1-12-16(4-3-5-18(12)24)21-9-7-15(31-21)11-17-13(2)25-26(22(17)28)20-10-14(23)6-8-19(20)27(29)30/h3-11H,1-2H3/b17-11-
InChIKey SBKXEJAKISCTBF-BOPFTXTBSA-N
Molecular Weight 456.285 g/mol
SMILES c1ccc(-c2oc(\C=C/3C(N(N=C3C)c3c(N(=O)=O)ccc(c3)Cl)=O)cc2)c(c1Cl)C
SPLASH splash10-0a4i-7930400000-700178924f55df91bdfe
Synonyms (4Z)-4-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylene]-2-(5-chloro-2-nitro-phenyl)-5-methyl-2-pyrazolin-3-one (4Z)-4-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylene]-2-(5-chloro-2-nitro-phenyl)-5-methyl-pyrazol-3-one (4Z)-4-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylidene]-2-(5-chloro-2-nitrophenyl)-5-methyl-3-pyrazolone (4Z)-4-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylidene]-2-(5-chloro-2-nitrophenyl)-5-methylpyrazol-3-one
Wiley ID 1459410