[3-(4-chlorophenyl)-2-(4-sulfamoylphenyl)-1,5-dihydropyrazol-5-yl]methyl nitrate

Systemtic Name: [3-(4-chlorophenyl)-2-(4-sulfamoylphenyl)-1,5-dihydropyrazol-5-yl]methyl nitrate Openeye Name: [3-(4-chlorophenyl)-2-(4-sulfamoylphenyl)-1,5-dihydropyrazol-5-yl]methyl nitrate CAS Name: nitric acid [3-(4-chlorophenyl)-2-(4-sulfamoylphenyl)-1,5-dihydropyrazol-5-yl]methyl ester IUPAC Name: [3-(4-chlorophenyl)-2-(4-sulfamoylphenyl)-1,5-dihydropyrazol-5-yl]methyl nitrate Traditional Name: nitric acid [5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)-3-pyrazolin-3-yl]methyl ester Formula: C16H15ClN4O5S MolecularWeight: 410.8321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(NN2C3=CC=C(C=C3)S(=O)(=O)N)CO[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC(NN2C3=CC=C(C=C3)S(=O)(=O)N)CO[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN4O5S/c17-12-3-1-11(2-4-12)16-9-13(10-26-21(22)23)19-20(16)14-5-7-15(8-6-14)27(18,24)25/h1-9,13,19H,10H2,(H2,18,24,25)