(5-methyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzenesulfonate

Systemtic Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzenesulfonate Openeye Name: (5-methyl-2-phenyl-pyrazol-3-yl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (5-methyl-2-phenyl-3-pyrazolyl) ester IUPAC Name: (5-methyl-2-phenylpyrazol-3-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (5-methyl-2-phenyl-pyrazol-3-yl) ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O5S/c1-12-11-16(18(17-12)13-5-3-2-4-6-13)24-25(22,23)15-9-7-14(8-10-15)19(20)21/h2-11H,1H3