3-(3-bromophenyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(3-bromophenyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 3-(3-bromophenyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 3-(3-bromophenyl)-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 3-(3-bromophenyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 3-(3-bromophenyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C11H9BrN2O2 MolecularWeight: 281.10536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C11H9BrN2O2/c1-14-6-9(11(15)16)10(13-14)7-3-2-4-8(12)5-7/h2-6H,1H3,(H,15,16)