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

Systemtic Name: 1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(4-methoxycarbonylphenyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(4-carbomethoxyphenyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C24H17BrN2O4 MolecularWeight: 477.30678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17BrN2O4/c1-31-24(30)17-12-10-15(11-13-17)21-20(23(28)29)22(16-6-3-2-4-7-16)27(26-21)19-9-5-8-18(25)14-19/h2-14H,1H3,(H,28,29)