[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methoxy-3-nitro-benzenesulfonate

Systemtic Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methoxy-3-nitro-benzenesulfonate Openeye Name: [5-methyl-2-(p-tolyl)pyrazol-3-yl] 4-methoxy-3-nitro-benzenesulfonate CAS Name: 4-methoxy-3-nitrobenzenesulfonic acid [5-methyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-methoxy-3-nitrobenzenesulfonate Traditional Name: 4-methoxy-3-nitro-benzenesulfonic acid [5-methyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-12-4-6-14(7-5-12)20-18(10-13(2)19-20)27-28(24,25)15-8-9-17(26-3)16(11-15)21(22)23/h4-11H,1-3H3