3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 3-(4-bromophenyl)-1-(3,4-dimethylphenyl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CCC1=C(C(=NN1C2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H19BrN2O2/c1-4-17-18(20(24)25)19(14-6-8-15(21)9-7-14)22-23(17)16-10-5-12(2)13(3)11-16/h5-11H,4H2,1-3H3,(H,24,25)