[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C20H21N3O5S/c1-14-5-11-17(12-6-14)29(26,27)28-19-13-18(20(2,3)4)21-22(19)15-7-9-16(10-8-15)23(24)25/h5-13H,1-4H3