[4-[1-cyclohexyl-5-(4-sulfamoylphenyl)pyrazol-3-yl]-4-oxidanylidene-butyl] nitrate

Systemtic Name: [4-[1-cyclohexyl-5-(4-sulfamoylphenyl)pyrazol-3-yl]-4-oxidanylidene-butyl] nitrate Openeye Name: [4-[1-cyclohexyl-5-(4-sulfamoylphenyl)pyrazol-3-yl]-4-oxo-butyl] nitrate CAS Name: nitric acid [4-[1-cyclohexyl-5-(4-sulfamoylphenyl)-3-pyrazolyl]-4-oxobutyl] ester IUPAC Name: [4-[1-cyclohexyl-5-(4-sulfamoylphenyl)pyrazol-3-yl]-4-oxobutyl] nitrate Traditional Name: nitric acid [4-[1-cyclohexyl-5-(4-sulfamoylphenyl)pyrazol-3-yl]-4-keto-butyl] ester Formula: C19H24N4O6S MolecularWeight: 436.48206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC(=N2)C(=O)CCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)N2C(=CC(=N2)C(=O)CCCO[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H24N4O6S/c20-30(27,28)16-10-8-14(9-11-16)18-13-17(19(24)7-4-12-29-23(25)26)21-22(18)15-5-2-1-3-6-15/h8-11,13,15H,1-7,12H2,(H2,20,27,28)