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CHEBI:95047 - 2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester

ChEBI IDCHEBI:95047
ChEBI Name2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester
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DownloadsMolfile
FormulaC22H21ClN2O5
Net Charge0
Average Mass428.872
Monoisotopic Mass428.11390
SMILESCCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OCC(=O)OC
InChIInChI=1S/C22H21ClN2O5/c1-4-29-19-12-15(11-18(23)21(19)30-13-20(26)28-3)10-17-14(2)24-25(22(17)27)16-8-6-5-7-9-16/h5-12H,4,13H2,1-3H3
InChIKeyRKKFQJXGAQWHBZ-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)
2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester (CHEBI:95047) is a monocarboxylic acid (CHEBI:25384)
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