2-nitro-4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate

Systemtic Name: 2-nitro-4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate Openeye Name: 2-nitro-4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate CAS Name: 2-nitro-4-[[2-(1-pyrazolyl)-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate IUPAC Name: 2-nitro-4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate Traditional Name: 2-nitro-4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]phenolate Formula: C16H10F3N4O5S- MolecularWeight: 427.33461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=C(C=C(C=C2)C(F)(F)F)NS(=O)(=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11F3N4O5S/c17-16(18,19)10-2-4-13(22-7-1-6-20-22)12(8-10)21-29(27,28)11-3-5-15(24)14(9-11)23(25)26/h1-9,21,24H/p-1