1-(2-fluoranyl-5-methyl-4-nitro-phenyl)azepane

Systemtic Name: 1-(2-fluoranyl-5-methyl-4-nitro-phenyl)azepane Openeye Name: 1-(2-fluoro-5-methyl-4-nitro-phenyl)azepane CAS Name: 1-(2-fluoro-5-methyl-4-nitrophenyl)azepane IUPAC Name: 1-(2-fluoro-5-methyl-4-nitrophenyl)azepane Traditional Name: 1-(2-fluoro-5-methyl-4-nitro-phenyl)azepane Formula: C13H17FN2O2 MolecularWeight: 252.284683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+](=O)[O-])F)N2CCCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])F)N2CCCCCC2

InChI

InChI=1S/C13H17FN2O2/c1-10-8-13(11(14)9-12(10)16(17)18)15-6-4-2-3-5-7-15/h8-9H,2-7H2,1H3