methyl 2-(4-bromanyl-2-fluoranyl-phenoxy)-5-nitro-benzoate

Systemtic Name: methyl 2-(4-bromanyl-2-fluoranyl-phenoxy)-5-nitro-benzoate Openeye Name: methyl 2-(4-bromo-2-fluoro-phenoxy)-5-nitro-benzoate CAS Name: 2-(4-bromo-2-fluorophenoxy)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(4-bromo-2-fluorophenoxy)-5-nitrobenzoate Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-5-nitro-benzoic acid methyl ester Formula: C14H9BrFNO5 MolecularWeight: 370.127363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)Br)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H9BrFNO5/c1-21-14(18)10-7-9(17(19)20)3-5-12(10)22-13-4-2-8(15)6-11(13)16/h2-7H,1H3