1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone CAS Name: 1-(1-azepanyl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitrophenoxy]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-(4-methoxyphenyl)-4-nitro-phenoxy]ethanone Formula: C21H24N2O5 MolecularWeight: 384.42566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H24N2O5/c1-27-18-9-6-16(7-10-18)19-14-17(23(25)26)8-11-20(19)28-15-21(24)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13,15H2,1H3