[5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-fluoranyl-2-methyl-phenyl] methanesulfonate

Systemtic Name: [5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-fluoranyl-2-methyl-phenyl] methanesulfonate Openeye Name: [5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-fluoro-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-(3,5-dimethyl-4-nitro-1-pyrazolyl)-4-fluoro-2-methylphenyl] ester IUPAC Name: [5-(3,5-dimethyl-4-nitropyrazol-1-yl)-4-fluoro-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-fluoro-2-methyl-phenyl] ester Formula: C13H14FN3O5S MolecularWeight: 343.330763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OS(=O)(=O)C)N2C(=C(C(=N2)C)[N+](=O)[O-])C)F

Isomeric SMILES

CC1=CC(=C(C=C1OS(=O)(=O)C)N2C(=C(C(=N2)C)[N+](=O)[O-])C)F

InChI

InChI=1S/C13H14FN3O5S/c1-7-5-10(14)11(6-12(7)22-23(4,20)21)16-9(3)13(17(18)19)8(2)15-16/h5-6H,1-4H3