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

Systemtic Name: 1-(3-bromophenyl)-5-ethyl-3-(4-methoxycarbonylphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-5-ethyl-3-(4-methoxycarbonylphenyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-5-ethyl-3-(4-methoxycarbonylphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-5-ethyl-3-(4-methoxycarbonylphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-3-(4-carbomethoxyphenyl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C20H17BrN2O4 MolecularWeight: 429.26398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O4/c1-3-16-17(19(24)25)18(12-7-9-13(10-8-12)20(26)27-2)22-23(16)15-6-4-5-14(21)11-15/h4-11H,3H2,1-2H3,(H,24,25)