1-(4-bromophenyl)-3-(4-chlorophenyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-3-(4-chlorophenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C22H14BrClN2O2 MolecularWeight: 453.71576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H14BrClN2O2/c23-16-8-12-18(13-9-16)26-21(15-4-2-1-3-5-15)19(22(27)28)20(25-26)14-6-10-17(24)11-7-14/h1-13H,(H,27,28)