[2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] methanesulfonate

Systemtic Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] methanesulfonate Openeye Name: [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(4-nitrophenyl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-phenylpyrazol-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-(4-nitrophenyl)-5-phenyl-pyrazol-3-yl] ester Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)OC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13N3O5S/c1-25(22,23)24-16-11-15(12-5-3-2-4-6-12)17-18(16)13-7-9-14(10-8-13)19(20)21/h2-11H,1H3