[2-(3-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-nitrobenzenesulfonate

Systemtic Name: [2-(3-chlorophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [2-(3-chlorophenyl)-5-isopropyl-pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-(3-chlorophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(3-chlorophenyl)-5-propan-2-ylpyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-(3-chlorophenyl)-5-isopropyl-pyrazol-3-yl] ester Formula: C18H16ClN3O5S MolecularWeight: 421.85474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O5S/c1-12(2)17-11-18(21(20-17)15-5-3-4-13(19)10-15)27-28(25,26)16-8-6-14(7-9-16)22(23)24/h3-12H,1-2H3