CHEBI:107159 - 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester

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ChEBI Name 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester
ChEBI ID CHEBI:107159
Stars This entity has been manually annotated by a third party.
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Formula C22H15ClN4O5S
Net Charge 0
Average Mass 482.898
Monoisotopic Mass 482.04517
InChI InChI=1S/C22H15ClN4O5S/c23-16-9-8-14(11-18(16)27(30)31)24-21(28)13-32-22(29)19-12-17(20-7-4-10-33-20)25-26(19)15-5-2-1-3-6-15/h1-12H,13H2,(H,24,28)
InChIKey LLXMFGUPTWJCFQ-UHFFFAOYSA-N
SMILES C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]
ChEBI Ontology
Outgoing 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester (CHEBI:107159) is a pyrazoles (CHEBI:26410)
2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester (CHEBI:107159) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-18513 LINCS
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