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

Systemtic Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(4-cyanophenyl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C19H14BrN3O2 MolecularWeight: 396.23736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14BrN3O2/c1-2-16-17(19(24)25)18(13-8-6-12(11-21)7-9-13)22-23(16)15-5-3-4-14(20)10-15/h3-10H,2H2,1H3,(H,24,25)