1,4-diazepan-1-yl-(2-fluoranyl-5-nitro-phenyl)methanone

Systemtic Name: 1,4-diazepan-1-yl-(2-fluoranyl-5-nitro-phenyl)methanone Openeye Name: 1,4-diazepan-1-yl-(2-fluoro-5-nitro-phenyl)methanone CAS Name: 1,4-diazepan-1-yl-(2-fluoro-5-nitrophenyl)methanone IUPAC Name: 1,4-diazepan-1-yl-(2-fluoro-5-nitrophenyl)methanone Traditional Name: 1,4-diazepan-1-yl-(2-fluoro-5-nitro-phenyl)methanone Formula: C12H14FN3O3 MolecularWeight: 267.256263

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])F

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])F

InChI

InChI=1S/C12H14FN3O3/c13-11-3-2-9(16(18)19)8-10(11)12(17)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2