(4-bromanyl-2-chloranyl-phenyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (4-bromo-2-chloro-phenyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (4-bromo-2-chloro-phenyl) ester Formula: C22H14BrClN2O2 MolecularWeight: 453.71576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3=C(C=C(C=C3)Br)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OC3=C(C=C(C=C3)Br)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H14BrClN2O2/c23-16-11-12-20(19(24)13-16)28-22(27)18-14-26(17-9-5-2-6-10-17)25-21(18)15-7-3-1-4-8-15/h1-14H