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

Systemtic Name: [2-chloranyl-5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-fluoranyl-phenyl] methanesulfonate Openeye Name: [2-chloro-5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-fluoro-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-chloro-5-(3,5-dimethyl-4-nitro-1-pyrazolyl)-4-fluorophenyl] ester IUPAC Name: [2-chloro-5-(3,5-dimethyl-4-nitropyrazol-1-yl)-4-fluorophenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-chloro-5-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-4-fluoro-phenyl] ester Formula: C12H11ClFN3O5S MolecularWeight: 363.749243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=C(C=C2F)Cl)OS(=O)(=O)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2F)Cl)OS(=O)(=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H11ClFN3O5S/c1-6-12(17(18)19)7(2)16(15-6)10-5-11(22-23(3,20)21)8(13)4-9(10)14/h4-5H,1-3H3