1-(2-fluoranyl-4-nitro-5-pyrrolidin-1-yl-phenyl)azepane

Systemtic Name: 1-(2-fluoranyl-4-nitro-5-pyrrolidin-1-yl-phenyl)azepane Openeye Name: 1-(2-fluoro-4-nitro-5-pyrrolidin-1-yl-phenyl)azepane CAS Name: 1-[2-fluoro-4-nitro-5-(1-pyrrolidinyl)phenyl]azepane IUPAC Name: 1-(2-fluoro-4-nitro-5-pyrrolidin-1-ylphenyl)azepane Traditional Name: 1-(2-fluoro-4-nitro-5-pyrrolidino-phenyl)azepane Formula: C16H22FN3O2 MolecularWeight: 307.363183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCCC3)[N+](=O)[O-])F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C16H22FN3O2/c17-13-11-16(20(21)22)15(19-9-5-6-10-19)12-14(13)18-7-3-1-2-4-8-18/h11-12H,1-10H2