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

Systemtic Name: 1-(4-bromophenyl)-3-(3-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(4-bromophenyl)-3-(3-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(4-bromophenyl)-3-(3-methoxyphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(4-bromophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(4-bromophenyl)-3-(3-methoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C23H17BrN2O3 MolecularWeight: 449.29668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=C2C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=C2C(=O)O)C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H17BrN2O3/c1-29-19-9-5-8-16(14-19)21-20(23(27)28)22(15-6-3-2-4-7-15)26(25-21)18-12-10-17(24)11-13-18/h2-14H,1H3,(H,27,28)