[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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