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CHEBI:114705 - 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester

ChEBI IDCHEBI:114705
ChEBI Name2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester
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FormulaC22H15ClN4O5S
Net Charge0
Average Mass482.905
Monoisotopic Mass482.04517
SMILESO=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C22H15ClN4O5S/c23-16-9-8-15(27(30)31)11-17(16)24-21(28)13-32-22(29)19-12-18(20-7-4-10-33-20)25-26(19)14-5-2-1-3-6-14/h1-12H,13H2,(H,24,28)
InChIKeyDAOPEHMXPXDRRF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester (CHEBI:114705) is a pyrazoles (CHEBI:26410)
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(2-chloro-5-nitroanilino)-2-oxoethyl] ester (CHEBI:114705) is a ring assembly (CHEBI:36820)
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LSM-26167LINCS