(5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (5-tert-butyl-2-phenyl-pyrazol-3-yl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (5-tert-butyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-tert-butyl-2-phenylpyrazol-3-yl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (5-tert-butyl-2-phenyl-pyrazol-3-yl) ester Formula: C19H18ClN3O5S MolecularWeight: 435.88132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O5S/c1-19(2,3)17-12-18(22(21-17)13-7-5-4-6-8-13)28-29(26,27)14-9-10-15(20)16(11-14)23(24)25/h4-12H,1-3H3