3-[[5-phenyl-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate

Systemtic Name: 3-[[5-phenyl-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[5-phenyl-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[5-phenyl-3-(4-sulfamoylphenyl)-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[5-phenyl-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[5-phenyl-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl ester Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N=N2)(COCCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(N=N2)(COCCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H20N4O6S/c20-30(26,27)17-9-7-16(8-10-17)19(14-28-11-4-12-29-23(24)25)13-18(21-22-19)15-5-2-1-3-6-15/h1-3,5-10,13H,4,11-12,14H2,(H2,20,26,27)