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CHEBI:115462 - 1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester

ChEBI IDCHEBI:115462
ChEBI Name1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester
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DownloadsMolfile
FormulaC25H19N3O5
Net Charge0
Average Mass441.443
Monoisotopic Mass441.13247
SMILESCc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C25H19N3O5/c1-17-12-13-19(14-22(17)28(31)32)23(29)16-33-25(30)21-15-27(20-10-6-3-7-11-20)26-24(21)18-8-4-2-5-9-18/h2-15H,16H2,1H3
InChIKeyPIMNHOYSPVIZMY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1,3-diphenyl-4-pyrazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester (CHEBI:115462) is a aromatic ketone (CHEBI:76224)
Manual XrefsDatabases
LSM-26919LINCS