1-(3-bromanyl-2-fluoranyl-4-nitro-phenyl)azepane

Systemtic Name: 1-(3-bromanyl-2-fluoranyl-4-nitro-phenyl)azepane Openeye Name: 1-(3-bromo-2-fluoro-4-nitro-phenyl)azepane CAS Name: 1-(3-bromo-2-fluoro-4-nitrophenyl)azepane IUPAC Name: 1-(3-bromo-2-fluoro-4-nitrophenyl)azepane Traditional Name: 1-(3-bromo-2-fluoro-4-nitro-phenyl)azepane Formula: C12H14BrFN2O2 MolecularWeight: 317.154163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])Br)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=C(C=C2)[N+](=O)[O-])Br)F

InChI

InChI=1S/C12H14BrFN2O2/c13-11-9(16(17)18)5-6-10(12(11)14)15-7-3-1-2-4-8-15/h5-6H,1-4,7-8H2