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CHEBI:107237 - 4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

ChEBI IDCHEBI:107237
ChEBI Name4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
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DownloadsMolfile
FormulaC18H16BrN3O3
Net Charge0
Average Mass402.248
Monoisotopic Mass401.03750
SMILESCc1nn(-c2ccccc2)c(=O)c1C(C[N+](=O)[O-])c1ccc(Br)cc1
InChIInChI=1S/C18H16BrN3O3/c1-12-17(18(23)22(20-12)15-5-3-2-4-6-15)16(11-21(24)25)13-7-9-14(19)10-8-13/h2-10,16,20H,11H2,1H3
InChIKeyMAYRVCMDSVVHFK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:107237) is a pyrazoles (CHEBI:26410)
4-[1-(4-bromophenyl)-2-nitroethyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:107237) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-18591LINCS