4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)benzoic acid

Systemtic Name: 4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)benzoic acid Openeye Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoic acid CAS Name: 4-(4-bromo-3,5-dimethyl-1-pyrazolyl)benzoic acid IUPAC Name: 4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoic acid Traditional Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoic acid Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)Br

InChI

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