1-(4-fluoranyl-3-nitro-phenyl)-7-(4-methoxy-3-oxidanyl-phenyl)heptan-3-one

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)-7-(4-methoxy-3-oxidanyl-phenyl)heptan-3-one Openeye Name: 1-(4-fluoro-3-nitro-phenyl)-7-(3-hydroxy-4-methoxy-phenyl)heptan-3-one CAS Name: 1-(4-fluoro-3-nitrophenyl)-7-(3-hydroxy-4-methoxyphenyl)-3-heptanone IUPAC Name: 1-(4-fluoro-3-nitrophenyl)-7-(3-hydroxy-4-methoxyphenyl)heptan-3-one Traditional Name: 1-(4-fluoro-3-nitro-phenyl)-7-(3-hydroxy-4-methoxy-phenyl)heptan-3-one Formula: C20H22FNO5 MolecularWeight: 375.390783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCCC(=O)CCC2=CC(=C(C=C2)F)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)CCCCC(=O)CCC2=CC(=C(C=C2)F)[N+](=O)[O-])O

InChI

InChI=1S/C20H22FNO5/c1-27-20-11-8-14(13-19(20)24)4-2-3-5-16(23)9-6-15-7-10-17(21)18(12-15)22(25)26/h7-8,10-13,24H,2-6,9H2,1H3