[(4E)-4-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitroso-butyl] nitrate

Systemtic Name: [(4E)-4-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitroso-butyl] nitrate Openeye Name: [(4E)-4-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitroso-butyl] nitrate CAS Name: nitric acid [(4E)-4-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitrosobutyl] ester IUPAC Name: [(4E)-4-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-4-nitrosobutyl] nitrate Traditional Name: nitric acid [(4E)-4-[1-cyclohexyl-5-(4-mesylphenyl)-3-pyrazolin-3-ylidene]-4-nitroso-butyl] ester Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=C(CCCO[N+](=O)[O-])N=O)NN2C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C/C(=C(/CCCO[N+](=O)[O-])\N=O)/NN2C3CCCCC3

InChI

InChI=1S/C20H26N4O6S/c1-31(28,29)17-11-9-15(10-12-17)20-14-19(18(22-25)8-5-13-30-24(26)27)21-23(20)16-6-3-2-4-7-16/h9-12,14,16,21H,2-8,13H2,1H3/b19-18+