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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)O)C4=CC=CC=C4

InChI

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