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4-[5-(4-Nitro-phenyl)-3-oxo-2,3-dihydro-pyrazol-1-yl]-benzoic acid N'-(2-chloro-acetyl)-hydrazide
SpectraBase Compound ID 6BMZ5P1VxrF
InChI InChI=1S/C18H14ClN5O5/c19-10-17(26)20-21-18(27)12-3-5-13(6-4-12)23-15(9-16(25)22-23)11-1-7-14(8-2-11)24(28)29/h1-9H,10H2,(H,20,26)(H,21,27)(H,22,25)
InChIKey QSFHYCCFBKFMLK-UHFFFAOYSA-N
Mol Weight 415.79 g/mol
Molecular Formula C18H14ClN5O5
Exact Mass 415.068346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yhrIVlRf4o
Name 4-[5-(4-Nitro-phenyl)-3-oxo-2,3-dihydro-pyrazol-1-yl]-benzoic acid N'-(2-chloro-acetyl)-hydrazide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClN5O5
InChI InChI=1S/C18H14ClN5O5/c19-10-17(26)20-21-18(27)12-3-5-13(6-4-12)23-15(9-16(25)22-23)11-1-7-14(8-2-11)24(28)29/h1-9H,10H2,(H,20,26)(H,21,27)(H,22,25)
InChIKey QSFHYCCFBKFMLK-UHFFFAOYSA-N
Molecular Weight 415.793 g/mol
SMILES N1C(C=C(N1c1ccc(C(NNC(=O)CCl)=O)cc1)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-014i-0000900000-d16c625b2b7eb20ee43e
Source of Spectrum F2-44-4632-6a
Synonyms N'-(2-chloroacetyl)-4-(5-(4-nitrophenyl)-3-oxo-5-phenyl-2,3-dihydropyrazol-1-yl)benzohydrazide N'-(2-chloro-1-oxoethyl)-4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzohydrazide N'-(2-chloroacetyl)-4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzohydrazide N'-(2-chloranylethanoyl)-4-[3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzohydrazide
Wiley ID 1705831