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CHEBI:114560 - 4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

ChEBI IDCHEBI:114560
ChEBI Name4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
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DownloadsMolfile
FormulaC23H23N5O6
Net Charge0
Average Mass465.466
Monoisotopic Mass465.16483
SMILESCOc1cc(C(c2c(C)nnc2=O)c2c(C)nnc2=O)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H23N5O6/c1-12-19(22(29)26-24-12)21(20-13(2)25-27-23(20)30)15-6-9-17(18(10-15)33-3)34-11-14-4-7-16(8-5-14)28(31)32/h4-10,21H,11H2,1-3H3,(H2,24,26,29)(H2,25,27,30)
InChIKeyHTQOWHRTTYNVEV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one (CHEBI:114560) is a C-nitro compound (CHEBI:35716)
Manual XrefsDatabases
LSM-26021LINCS