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

Systemtic Name: [(5Z)-5-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-5-nitroso-pentyl] nitrate Openeye Name: [(5Z)-5-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-5-nitroso-pentyl] nitrate CAS Name: nitric acid [(5Z)-5-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-5-nitrosopentyl] ester IUPAC Name: [(5Z)-5-[2-cyclohexyl-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-ylidene]-5-nitrosopentyl] nitrate Traditional Name: nitric acid [(5Z)-5-[1-cyclohexyl-5-(4-mesylphenyl)-3-pyrazolin-3-ylidene]-5-nitroso-pentyl] ester Formula: C21H28N4O6S MolecularWeight: 464.53522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O6S/c1-32(29,30)18-12-10-16(11-13-18)21-15-20(22-24(21)17-7-3-2-4-8-17)19(23-26)9-5-6-14-31-25(27)28/h10-13,15,17,22H,2-9,14H2,1H3/b20-19-