3-[2-(methylaminomethyl)-4-nitro-phenoxy]azepan-2-one

Systemtic Name: 3-[2-(methylaminomethyl)-4-nitro-phenoxy]azepan-2-one Openeye Name: 3-[2-(methylaminomethyl)-4-nitro-phenoxy]azepan-2-one CAS Name: 3-[2-(methylaminomethyl)-4-nitrophenoxy]-2-azepanone IUPAC Name: 3-[2-(methylaminomethyl)-4-nitrophenoxy]azepan-2-one Traditional Name: 3-[2-(methylaminomethyl)-4-nitro-phenoxy]azepan-2-one Formula: C14H19N3O4 MolecularWeight: 293.31836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)[N+](=O)[O-])OC2CCCCNC2=O

Isomeric SMILES

CNCC1=C(C=CC(=C1)[N+](=O)[O-])OC2CCCCNC2=O

InChI

InChI=1S/C14H19N3O4/c1-15-9-10-8-11(17(19)20)5-6-12(10)21-13-4-2-3-7-16-14(13)18/h5-6,8,13,15H,2-4,7,9H2,1H3,(H,16,18)