1-[(3-bromanyl-4-methoxy-phenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3-bromo-4-methoxy-benzyl)pyrazole-4-carboxylic acid Formula: C12H11BrN2O3 MolecularWeight: 311.13134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=C(C=N2)C(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=C(C=N2)C(=O)O)Br

InChI

InChI=1S/C12H11BrN2O3/c1-18-11-3-2-8(4-10(11)13)6-15-7-9(5-14-15)12(16)17/h2-5,7H,6H2,1H3,(H,16,17)