1-[2-(4-methoxyphenyl)azepan-1-yl]-2-(3-nitrophenoxy)ethanone

Systemtic Name: 1-[2-(4-methoxyphenyl)azepan-1-yl]-2-(3-nitrophenoxy)ethanone Openeye Name: 1-[2-(4-methoxyphenyl)azepan-1-yl]-2-(3-nitrophenoxy)ethanone CAS Name: 1-[2-(4-methoxyphenyl)-1-azepanyl]-2-(3-nitrophenoxy)ethanone IUPAC Name: 1-[2-(4-methoxyphenyl)azepan-1-yl]-2-(3-nitrophenoxy)ethanone Traditional Name: 1-[2-(4-methoxyphenyl)azepan-1-yl]-2-(3-nitrophenoxy)ethanone Formula: C21H24N2O5 MolecularWeight: 384.42566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5/c1-27-18-11-9-16(10-12-18)20-8-3-2-4-13-22(20)21(24)15-28-19-7-5-6-17(14-19)23(25)26/h5-7,9-12,14,20H,2-4,8,13,15H2,1H3