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CHEBI:112982 - 3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid

ChEBI IDCHEBI:112982
ChEBI Name3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid
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DownloadsMolfile
FormulaC22H18N2O5
Net Charge0
Average Mass390.395
Monoisotopic Mass390.12157
SMILESC#CCOc1ccc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC
InChIInChI=1S/C22H18N2O5/c1-4-10-29-19-9-8-15(12-20(19)28-3)11-18-14(2)23-24(21(18)25)17-7-5-6-16(13-17)22(26)27/h1,5-9,11-13H,10H2,2-3H3,(H,26,27)
InChIKeyNJWUHLOOLLYOSU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]benzoic acid (CHEBI:112982) is a amidobenzoic acid (CHEBI:48470)
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LSM-24392LINCS