5,5-dimethyl-3-(6-methyl-5-nitro-pyridin-2-yl)oxy-4-methylsulfonyl-furan-2-one

Systemtic Name: 5,5-dimethyl-3-(6-methyl-5-nitro-pyridin-2-yl)oxy-4-methylsulfonyl-furan-2-one Openeye Name: 5,5-dimethyl-3-[(6-methyl-5-nitro-2-pyridyl)oxy]-4-methylsulfonyl-furan-2-one CAS Name: 5,5-dimethyl-3-[(6-methyl-5-nitro-2-pyridinyl)oxy]-4-methylsulfonyl-2-furanone IUPAC Name: 5,5-dimethyl-3-(6-methyl-5-nitropyridin-2-yl)oxy-4-methylsulfonylfuran-2-one Traditional Name: 4-mesyl-5,5-dimethyl-3-[(6-methyl-5-nitro-2-pyridyl)oxy]furan-2-one Formula: C13H14N2O7S MolecularWeight: 342.32446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)OC2=C(C(OC2=O)(C)C)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=N1)OC2=C(C(OC2=O)(C)C)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O7S/c1-7-8(15(17)18)5-6-9(14-7)21-10-11(23(4,19)20)13(2,3)22-12(10)16/h5-6H,1-4H3