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CHEBI:105011 - 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester

ChEBI IDCHEBI:105011
ChEBI Name2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC22H16N4O5S
Net Charge0
Average Mass448.460
Monoisotopic Mass448.08414
SMILESO=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H16N4O5S/c27-21(23-15-6-4-9-17(12-15)26(29)30)14-31-22(28)19-13-18(20-10-5-11-32-20)24-25(19)16-7-2-1-3-8-16/h1-13H,14H2,(H,23,27)
InChIKeyVLDPPNRSAGPASZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester (CHEBI:105011) is a pyrazoles (CHEBI:26410)
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester (CHEBI:105011) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-16374LINCS