(5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzenesulfonate

Systemtic Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzenesulfonate Openeye Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (5-tert-butyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-tert-butyl-2-phenylpyrazol-3-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (5-tert-butyl-2-phenyl-pyrazol-3-yl) ester Formula: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-19(2,3)17-13-18(21(20-17)14-7-5-4-6-8-14)27-28(25,26)16-11-9-15(10-12-16)22(23)24/h4-13H,1-3H3