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CHEBI:109579 - 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester

ChEBI IDCHEBI:109579
ChEBI Name4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester
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DownloadsMolfile
FormulaC20H17ClN4O5
Net Charge0
Average Mass428.832
Monoisotopic Mass428.08875
SMILESCc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)n1
InChIInChI=1S/C20H17ClN4O5/c1-12-9-13(2)24(23-12)16-6-3-14(4-7-16)20(27)30-11-19(26)22-17-8-5-15(21)10-18(17)25(28)29/h3-10H,11H2,1-2H3,(H,22,26)
InChIKeyZYKURNWGLNKKRW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester (CHEBI:109579) is a pyrazoles (CHEBI:26410)
4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester (CHEBI:109579) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-21007LINCS