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

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ChEBI Name 4-(4-bromophenyl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid methyl ester
ChEBI ID CHEBI:107317
Stars This entity has been manually annotated by a third party.
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Formula C16H17BrN2O3
Net Charge 0
Average Mass 365.222
Monoisotopic Mass 364.04226
InChI InChI=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
InChIKey YKYDBGXSDLKLOK-UHFFFAOYSA-N
SMILES CC1=CC(=NN1C(CC(=O)C2=CC=C(C=C2)Br)C(=O)OC)C
ChEBI Ontology
Outgoing 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 Xref Database
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