1-(4-fluoranyl-3-nitro-phenyl)-7-(4-methoxy-3-oxidanyl-phenyl)-4,4-dimethyl-heptane-3,5-dione

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)-7-(4-methoxy-3-oxidanyl-phenyl)-4,4-dimethyl-heptane-3,5-dione Openeye Name: 1-(4-fluoro-3-nitro-phenyl)-7-(3-hydroxy-4-methoxy-phenyl)-4,4-dimethyl-heptane-3,5-dione CAS Name: 1-(4-fluoro-3-nitrophenyl)-7-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylheptane-3,5-dione IUPAC Name: 1-(4-fluoro-3-nitrophenyl)-7-(3-hydroxy-4-methoxyphenyl)-4,4-dimethylheptane-3,5-dione Traditional Name: 1-(4-fluoro-3-nitro-phenyl)-7-(3-hydroxy-4-methoxy-phenyl)-4,4-dimethyl-heptane-3,5-dione Formula: C22H24FNO6 MolecularWeight: 417.427463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)CCC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)CCC2=CC(=C(C=C2)OC)O

Isomeric SMILES

CC(C)(C(=O)CCC1=CC(=C(C=C1)F)[N+](=O)[O-])C(=O)CCC2=CC(=C(C=C2)OC)O

InChI

InChI=1S/C22H24FNO6/c1-22(2,21(27)11-7-15-5-9-19(30-3)18(25)13-15)20(26)10-6-14-4-8-16(23)17(12-14)24(28)29/h4-5,8-9,12-13,25H,6-7,10-11H2,1-3H3