3-(4-bromophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 3-(4-bromophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 3-(4-bromophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-bromophenyl)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 3-(4-bromophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-bromophenyl)-1-phenyl-pyrazole-4-carboxylate Formula: C16H10BrN2O2- MolecularWeight: 342.1668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C16H11BrN2O2/c17-12-8-6-11(7-9-12)15-14(16(20)21)10-19(18-15)13-4-2-1-3-5-13/h1-10H,(H,20,21)/p-1