methyl 4-[(4-bromanylpyrazol-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-bromanylpyrazol-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-bromopyrazol-1-yl)methyl]benzoate CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-bromopyrazol-1-yl)methyl]benzoate Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]benzoic acid methyl ester Formula: C12H11BrN2O2 MolecularWeight: 295.13194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)Br

InChI

InChI=1S/C12H11BrN2O2/c1-17-12(16)10-4-2-9(3-5-10)7-15-8-11(13)6-14-15/h2-6,8H,7H2,1H3