1-(4-bromophenyl)-5-ethanoyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-(4-bromophenyl)-5-ethanoyl-pyrazole-3-carboxylic acid Openeye Name: 5-acetyl-1-(4-bromophenyl)pyrazole-3-carboxylic acid CAS Name: 5-acetyl-1-(4-bromophenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-acetyl-1-(4-bromophenyl)pyrazole-3-carboxylic acid Traditional Name: 5-acetyl-1-(4-bromophenyl)pyrazole-3-carboxylic acid Formula: C12H9BrN2O3 MolecularWeight: 309.11546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=NN1C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(=O)C1=CC(=NN1C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C12H9BrN2O3/c1-7(16)11-6-10(12(17)18)14-15(11)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,17,18)