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

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 4-nitrobenzenesulfonate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C18H16N4O7S MolecularWeight: 432.40724

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O7S/c1-12(2)17-11-18(20(19-17)13-3-5-14(6-4-13)21(23)24)29-30(27,28)16-9-7-15(8-10-16)22(25)26/h3-12H,1-2H3