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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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