N-[4-fluoranyl-2-nitro-5-(5-oxidanylidene-1,4-diazepan-1-yl)phenyl]ethanamide

Systemtic Name: N-[4-fluoranyl-2-nitro-5-(5-oxidanylidene-1,4-diazepan-1-yl)phenyl]ethanamide Openeye Name: N-[4-fluoro-2-nitro-5-(5-oxo-1,4-diazepan-1-yl)phenyl]acetamide CAS Name: N-[4-fluoro-2-nitro-5-(5-oxo-1,4-diazepan-1-yl)phenyl]acetamide IUPAC Name: N-[4-fluoro-2-nitro-5-(5-oxo-1,4-diazepan-1-yl)phenyl]acetamide Traditional Name: N-[4-fluoro-5-(5-keto-1,4-diazepan-1-yl)-2-nitro-phenyl]acetamide Formula: C13H15FN4O4 MolecularWeight: 310.281003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)N2CCC(=O)NCC2)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)N2CCC(=O)NCC2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H15FN4O4/c1-8(19)16-10-7-11(9(14)6-12(10)18(21)22)17-4-2-13(20)15-3-5-17/h6-7H,2-5H2,1H3,(H,15,20)(H,16,19)