5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(3-nitropyridin-2-yl)oxy-furan-2-one

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(3-nitropyridin-2-yl)oxy-furan-2-one Openeye Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(3-nitro-2-pyridyl)oxy]furan-2-one CAS Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(3-nitro-2-pyridinyl)oxy]-2-furanone IUPAC Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(3-nitropyridin-2-yl)oxyfuran-2-one Traditional Name: 4-(4-mesylphenyl)-5,5-dimethyl-3-[(3-nitro-2-pyridyl)oxy]furan-2-one Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)OC2=C(C=CC=N2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)OC2=C(C=CC=N2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C18H16N2O7S/c1-18(2)14(11-6-8-12(9-7-11)28(3,24)25)15(17(21)27-18)26-16-13(20(22)23)5-4-10-19-16/h4-10H,1-3H3