(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-fluoranyl-4-methoxy-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H14FNO7 MolecularWeight: 363.293963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)F

InChI

InChI=1S/C17H14FNO7/c1-23-15-3-2-10(6-14(15)18)17(20)25-8-12-5-13(19(21)22)4-11-7-24-9-26-16(11)12/h2-6H,7-9H2,1H3