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CHEBI:121541 - 4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one

ChEBI IDCHEBI:121541
ChEBI Name4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one
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DownloadsMolfile
FormulaC17H13Cl2N3O4
Net Charge0
Average Mass394.214
Monoisotopic Mass393.02831
SMILESO=c1nnc(-c2ccccc2O)c1C(C[N+](=O)[O-])c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H13Cl2N3O4/c18-9-5-6-10(13(19)7-9)12(8-22(25)26)15-16(20-21-17(15)24)11-3-1-2-4-14(11)23/h1-7,12,23H,8H2,(H2,20,21,24)
InChIKeyAPQNTBCJKKGZJG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one (CHEBI:121541) is a pyrazoles (CHEBI:26410)
4-[1-(2,4-dichlorophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one (CHEBI:121541) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-32984LINCS