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

Systemtic Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] benzenesulfonate Openeye Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5-ethyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-ethyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-2-13-12-17(25-26(23,24)16-6-4-3-5-7-16)19(18-13)14-8-10-15(11-9-14)20(21)22/h3-12H,2H2,1H3