[5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate

Systemtic Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate Openeye Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [5-ethyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(=C1)OS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-3-13-12-18(20(19-13)14-4-6-15(7-5-14)21(22)23)27-28(24,25)17-10-8-16(26-2)9-11-17/h4-12H,3H2,1-2H3