7-[3-(4-fluoranyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-3-nitro-2-oxidanyl-chromen-4-one

Systemtic Name: 7-[3-(4-fluoranyl-2-propyl-phenoxy)-2-oxidanyl-propoxy]-3-nitro-2-oxidanyl-chromen-4-one Openeye Name: 7-[3-(4-fluoro-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-nitro-chromen-4-one CAS Name: 7-[3-(4-fluoro-2-propylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-nitro-1-benzopyran-4-one IUPAC Name: 7-[3-(4-fluoro-2-propylphenoxy)-2-hydroxypropoxy]-2-hydroxy-3-nitrochromen-4-one Traditional Name: 7-[3-(4-fluoro-2-propyl-phenoxy)-2-hydroxy-propoxy]-2-hydroxy-3-nitro-chromone Formula: C21H20FNO8 MolecularWeight: 433.383803

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)F)OCC(COC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=C(C=CC(=C1)F)OCC(COC2=CC3=C(C=C2)C(=O)C(=C(O3)O)[N+](=O)[O-])O

InChI

InChI=1S/C21H20FNO8/c1-2-3-12-8-13(22)4-7-17(12)30-11-14(24)10-29-15-5-6-16-18(9-15)31-21(26)19(20(16)25)23(27)28/h4-9,14,24,26H,2-3,10-11H2,1H3