(4-bromanyl-2-fluoranyl-phenyl)methyl 3-nitrobenzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-nitrobenzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C14H9BrFNO4 MolecularWeight: 354.127963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H9BrFNO4/c15-11-5-4-10(13(16)7-11)8-21-14(18)9-2-1-3-12(6-9)17(19)20/h1-7H,8H2