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

Systemtic Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(5-nitropyridin-2-yl)oxy-furan-2-one Openeye Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(5-nitro-2-pyridyl)oxy]furan-2-one CAS Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-[(5-nitro-2-pyridinyl)oxy]-2-furanone IUPAC Name: 5,5-dimethyl-4-(4-methylsulfonylphenyl)-3-(5-nitropyridin-2-yl)oxyfuran-2-one Traditional Name: 4-(4-mesylphenyl)-5,5-dimethyl-3-[(5-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=NC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)OC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

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