3-(4-bromophenyl)-1-pyrimidin-2-yl-pyrazole-4-carboxylic acid

Systemtic Name: 3-(4-bromophenyl)-1-pyrimidin-2-yl-pyrazole-4-carboxylic acid Openeye Name: 3-(4-bromophenyl)-1-pyrimidin-2-yl-pyrazole-4-carboxylic acid CAS Name: 3-(4-bromophenyl)-1-(2-pyrimidinyl)-4-pyrazolecarboxylic acid IUPAC Name: 3-(4-bromophenyl)-1-pyrimidin-2-ylpyrazole-4-carboxylic acid Traditional Name: 3-(4-bromophenyl)-1-(2-pyrimidyl)pyrazole-4-carboxylic acid Formula: C14H9BrN4O2 MolecularWeight: 345.15086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C14H9BrN4O2/c15-10-4-2-9(3-5-10)12-11(13(20)21)8-19(18-12)14-16-6-1-7-17-14/h1-8H,(H,20,21)