(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-bromanyl-4-fluoranyl-phenoxy)ethanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-bromo-4-fluoro-phenoxy)acetate CAS Name: 2-(2-bromo-4-fluorophenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(2-bromo-4-fluorophenoxy)acetate Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)acetic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13BrFNO7 MolecularWeight: 442.190023

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)COC3=C(C=C(C=C3)F)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)COC3=C(C=C(C=C3)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrFNO7/c18-14-5-12(19)1-2-15(14)25-8-16(21)26-7-11-4-13(20(22)23)3-10-6-24-9-27-17(10)11/h1-5H,6-9H2