[4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl nitrate

Systemtic Name: [4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl nitrate Openeye Name: [4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl nitrate CAS Name: nitric acid [4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)-3-pyrazolyl]phenyl]methyl ester IUPAC Name: [4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methyl nitrate Traditional Name: nitric acid [4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzyl] ester Formula: C17H13F3N4O5S MolecularWeight: 442.36913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CO[N+](=O)[O-])C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CO[N+](=O)[O-])C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O5S/c18-17(19,20)16-9-15(12-3-1-11(2-4-12)10-29-24(25)26)23(22-16)13-5-7-14(8-6-13)30(21,27)28/h1-9H,10H2,(H2,21,27,28)