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

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-13(2)18-12-19(27-28(25,26)17-10-4-14(3)5-11-17)21(20-18)15-6-8-16(9-7-15)22(23)24/h4-13H,1-3H3