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CHEBI:107317 - 4-(4-bromophenyl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid methyl ester

ChEBI IDCHEBI:107317
ChEBI Name4-(4-bromophenyl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid methyl ester
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FormulaC16H17BrN2O3
Net Charge0
Average Mass365.227
Monoisotopic Mass364.04225
SMILESCOC(=O)C(CC(=O)c1ccc(Br)cc1)n1nc(C)cc1C
InChIInChI=1S/C16H17BrN2O3/c1-10-8-11(2)19(18-10)14(16(21)22-3)9-15(20)12-4-6-13(17)7-5-12/h4-8,14H,9H2,1-3H3
InChIKeyYKYDBGXSDLKLOK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(4-bromophenyl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid methyl ester (CHEBI:107317) is a α-amino acid ester (CHEBI:46874)
Manual XrefsDatabases
LSM-18671LINCS