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

Systemtic Name: 1-(3-bromophenyl)-5-ethyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-bromophenyl)-5-ethyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-bromophenyl)-5-ethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-bromophenyl)-5-ethylpyrazole-4-carboxylic acid Traditional Name: 1-(3-bromophenyl)-5-ethyl-pyrazole-4-carboxylic acid Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O2/c1-2-11-10(12(16)17)7-14-15(11)9-5-3-4-8(13)6-9/h3-7H,2H2,1H3,(H,16,17)