EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114547 - 4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

ChEBI IDCHEBI:114547
ChEBI Name4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
Stars
DownloadsMolfile
FormulaC27H23N5O5
Net Charge0
Average Mass497.511
Monoisotopic Mass497.16992
SMILESCc1nn(-c2ccccc2)c(=O)c1C(c1cccc([N+](=O)[O-])c1O)c1c(C)nn(-c2ccccc2)c1=O
InChIInChI=1S/C27H23N5O5/c1-16-22(26(34)30(28-16)18-10-5-3-6-11-18)24(20-14-9-15-21(25(20)33)32(36)37)23-17(2)29-31(27(23)35)19-12-7-4-8-13-19/h3-15,24,28-29,33H,1-2H3
InChIKeyMJOHOGSCUVWOFH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:114547) is a pyrazoles (CHEBI:26410)
4-[(2-hydroxy-3-nitrophenyl)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one (CHEBI:114547) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-26008LINCS