CHEBI:105697 - 3-[3-(3-bromophenyl)-4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-pyrazolyl]propanoic acid

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ChEBI Name 3-[3-(3-bromophenyl)-4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-pyrazolyl]propanoic acid ChEBI ID CHEBI:105697 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C21H16BrClN2O3 Net Charge 0 Average Mass 459.721 Monoisotopic Mass 458.00328 InChI InChI=1S/C21H16BrClN2O3/c22-17-3-1-2-15(12-17)21-16(13-25(24-21)11-10-20(27)28)6-9-19(26)14-4-7-18(23)8-5-14/h1-9,12-13H,10-11H2,(H,27,28) InChIKey PYTRNXVWUCEWPD-UHFFFAOYSA-N SMILES C1=CC(=CC(=C1)Br)C2=NN(C=C2C=CC(=O)C3=CC=C(C=C3)Cl)CCC(=O)O ChEBI Ontology Outgoing 3-[3-(3-bromophenyl)-4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-pyrazolyl]propanoic acid (CHEBI:105697) is a pyrazoles (CHEBI:26410) 3-[3-(3-bromophenyl)-4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1-pyrazolyl]propanoic acid (CHEBI:105697) is a ring assembly (CHEBI:36820) Manual Xref Database LSM-17059 LINCS View more database links