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

Systemtic Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [2-(2-chlorophenyl)-5-phenyl-pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-(2-chlorophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(2-chlorophenyl)-5-phenylpyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(2-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=C4Cl

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=C4Cl

InChI

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