[2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-(3-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(3-chlorophenyl)-5-phenylpyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(3-chlorophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H14ClN3O5S MolecularWeight: 455.87096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H14ClN3O5S/c22-16-7-4-8-18(13-16)24-21(14-20(23-24)15-5-2-1-3-6-15)30-31(28,29)19-11-9-17(10-12-19)25(26)27/h1-14H