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

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] phenylmethanesulfonate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] phenylmethanesulfonate Traditional Name: phenylmethanesulfonic 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:

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OS(=O)(=O)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5S/c1-20(2,3)18-13-19(28-29(26,27)14-15-7-5-4-6-8-15)22(21-18)16-9-11-17(12-10-16)23(24)25/h4-13H,14H2,1-3H3