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2-Chloranyl-5-[(4Z)-3-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID L6iZnA9cWA6
InChI InChI=1S/C22H14ClN3O6/c1-12-17(21(27)25(24-12)14-5-7-19(23)18(10-14)22(28)29)11-16-6-8-20(32-16)13-3-2-4-15(9-13)26(30)31/h2-11H,1H3,(H,28,29)/b17-11-
InChIKey OTCOVKFIOPLLJF-BOPFTXTBSA-N
Mol Weight 451.82 g/mol
Molecular Formula C22H14ClN3O6
Exact Mass 451.057113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KtfAnPMy6L
Name 2-Chloranyl-5-[(4Z)-3-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14ClN3O6
InChI InChI=1S/C22H14ClN3O6/c1-12-17(21(27)25(24-12)14-5-7-19(23)18(10-14)22(28)29)11-16-6-8-20(32-16)13-3-2-4-15(9-13)26(30)31/h2-11H,1H3,(H,28,29)/b17-11-
InChIKey OTCOVKFIOPLLJF-BOPFTXTBSA-N
Molecular Weight 451.822 g/mol
SMILES OC(c1cc(N2C(\C(=C/c3oc(-c4cc(N(=O)=O)ccc4)cc3)C(=N2)C)=O)ccc1Cl)=O
SPLASH splash10-0007-9820100000-f45b25d7f2b7a4093db2
Synonyms 2-Chloro-5-[(4Z)-3-methyl-4-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid 2-Chloro-5-[(4Z)-3-methyl-4-[[5-(3-nitrophenyl)-2-furyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid 2-Chloro-5-[(4Z)-3-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid 2-Chloro-5-[(4Z)-5-keto-3-methyl-4-[[5-(3-nitrophenyl)-2-furyl]methylene]-2-pyrazolin-1-yl]benzoic acid
Wiley ID 1446447