(6-cyclohexyl-4-methyl-3-nitro-2-oxidanylidene-pyridin-1-yl) methanesulfonate

Systemtic Name: (6-cyclohexyl-4-methyl-3-nitro-2-oxidanylidene-pyridin-1-yl) methanesulfonate Openeye Name: (6-cyclohexyl-4-methyl-3-nitro-2-oxo-1-pyridyl) methanesulfonate CAS Name: methanesulfonic acid (6-cyclohexyl-4-methyl-3-nitro-2-oxo-1-pyridinyl) ester IUPAC Name: (6-cyclohexyl-4-methyl-3-nitro-2-oxopyridin-1-yl) methanesulfonate Traditional Name: methanesulfonic acid (6-cyclohexyl-2-keto-4-methyl-3-nitro-1-pyridyl) ester Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1)C2CCCCC2)OS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(C(=C1)C2CCCCC2)OS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6S/c1-9-8-11(10-6-4-3-5-7-10)14(21-22(2,19)20)13(16)12(9)15(17)18/h8,10H,3-7H2,1-2H3