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3H-Pyrazol-3-one, 4-[[(4-acetylphenyl)amino]methylene]-2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
SpectraBase Compound ID 16ij5G9igEK
InChI InChI=1S/C19H16ClN3O2/c1-12-18(11-21-16-7-3-14(4-8-16)13(2)24)19(25)23(22-12)17-9-5-15(20)6-10-17/h3-11,21H,1-2H3/b18-11+
InChIKey JBHHYGJVWQRWID-WOJGMQOQSA-N
Mol Weight 353.81 g/mol
Molecular Formula C19H16ClN3O2
Exact Mass 353.093104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6s77xz2iSPT
Name 3H-Pyrazol-3-one, 4-[[(4-acetylphenyl)amino]methylene]-2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
Alternate Name(s) (4E)-4-[(4-Acetylanilino)methylene]-2-(4-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one (4E)-4-[(4-acetylanilino)methylidene]-2-(4-chlorophenyl)-5-methylpyrazol-3-one (4E)-4-{[(4-acetylphenyl)amino]methylidene}-2-(4-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CAS Registry Number 339157-25-4
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClN3O2
InChI InChI=1S/C19H16ClN3O2/c1-12-18(11-21-16-7-3-14(4-8-16)13(2)24)19(25)23(22-12)17-9-5-15(20)6-10-17/h3-11,21H,1-2H3/b18-11+
InChIKey JBHHYGJVWQRWID-WOJGMQOQSA-N
Molecular Weight 353.809 g/mol
SMILES N(\C=C/1C(C)=NN(C1=O)c1ccc(cc1)Cl)c1ccc(C(C)=O)cc1
SPLASH splash10-0gb9-9663000000-fcf2330b164fa6511141
Wiley ID 1467911