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

Systemtic Name: methyl 3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate Openeye Name: methyl 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoate CAS Name: 3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C14H15BrN2O2 MolecularWeight: 323.1851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)OC)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC(=C2)C(=O)OC)C)Br

InChI

InChI=1S/C14H15BrN2O2/c1-9-13(15)10(2)17(16-9)8-11-5-4-6-12(7-11)14(18)19-3/h4-7H,8H2,1-3H3