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

Systemtic Name: 3-[[5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Openeye Name: 3-[[5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate CAS Name: nitric acid 3-[[5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)-3-pyrazolyl]methoxy]propyl ester IUPAC Name: 3-[[5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl nitrate Traditional Name: nitric acid 3-[[5-(4-chlorophenyl)-3-(4-sulfamoylphenyl)pyrazol-3-yl]methoxy]propyl ester Formula: C19H19ClN4O6S MolecularWeight: 466.89536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(N=N2)(COCCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(N=N2)(COCCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C19H19ClN4O6S/c20-16-6-2-14(3-7-16)18-12-19(23-22-18,13-29-10-1-11-30-24(25)26)15-4-8-17(9-5-15)31(21,27)28/h2-9,12H,1,10-11,13H2,(H2,21,27,28)