2-(4-fluoranyl-3-nitro-phenyl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione

Systemtic Name: 2-(4-fluoranyl-3-nitro-phenyl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione Openeye Name: 2-(4-fluoro-3-nitro-phenyl)-1-(4-methylsulfonyl-2-nitro-phenyl)butane-1,3-dione CAS Name: 2-(4-fluoro-3-nitrophenyl)-1-(4-methylsulfonyl-2-nitrophenyl)butane-1,3-dione IUPAC Name: 2-(4-fluoro-3-nitrophenyl)-1-(4-methylsulfonyl-2-nitrophenyl)butane-1,3-dione Traditional Name: 2-(4-fluoro-3-nitro-phenyl)-1-(4-mesyl-2-nitro-phenyl)butane-1,3-dione Formula: C17H13FN2O8S MolecularWeight: 424.357123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H13FN2O8S/c1-9(21)16(10-3-6-13(18)15(7-10)20(25)26)17(22)12-5-4-11(29(2,27)28)8-14(12)19(23)24/h3-8,16H,1-2H3