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

Systemtic Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [5-methyl-2-(p-tolyl)pyrazol-3-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [5-methyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [5-methyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C17H14ClN3O5S MolecularWeight: 407.82816

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O5S/c1-11-3-5-13(6-4-11)20-17(9-12(2)19-20)26-27(24,25)14-7-8-15(18)16(10-14)21(22)23/h3-10H,1-2H3