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

Systemtic Name: 4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-bromo-3,5-dimethyl-1-pyrazolyl)benzoate IUPAC Name: 4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)benzoate Formula: C12H10BrN2O2- MolecularWeight: 294.124

Click to see the large picture

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)/p-1