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

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl) 4-nitrobenzoate Openeye Name: (2-bromo-4-fluoro-phenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-bromo-4-fluorophenyl) ester IUPAC Name: (2-bromo-4-fluorophenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-bromo-4-fluoro-phenyl) ester Formula: C13H7BrFNO4 MolecularWeight: 340.101383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)F)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H7BrFNO4/c14-11-7-9(15)3-6-12(11)20-13(17)8-1-4-10(5-2-8)16(18)19/h1-7H