ethyl 1-(4-bromophenyl)-4-ethanoyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-bromophenyl)-4-ethanoyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-acetyl-1-(4-bromophenyl)pyrazole-3-carboxylate CAS Name: 4-acetyl-1-(4-bromophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-1-(4-bromophenyl)pyrazole-3-carboxylate Traditional Name: 4-acetyl-1-(4-bromophenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1C(=O)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=NN(C=C1C(=O)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN2O3/c1-3-20-14(19)13-12(9(2)18)8-17(16-13)11-6-4-10(15)5-7-11/h4-8H,3H2,1-2H3