[5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate

Systemtic Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Openeye Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid [5-ethyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5S/c1-5-16-14-20(23(22-16)17-8-10-18(11-9-17)24(25)26)29-30(27,28)19-12-6-15(7-13-19)21(2,3)4/h6-14H,5H2,1-4H3