[2-(4-methoxyphenoxy)-5-nitro-phenyl]-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: [2-(4-methoxyphenoxy)-5-nitro-phenyl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: [2-(4-methoxyphenoxy)-5-nitro-phenyl]-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-(4-methoxyphenoxy)-5-nitrophenyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: [2-(4-methoxyphenoxy)-5-nitrophenyl]-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(4-methoxyphenoxy)-5-nitro-phenyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C23H28N2O5 MolecularWeight: 412.47882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O5/c1-16-11-12-24(15-23(2,3)14-16)22(26)20-13-17(25(27)28)5-10-21(20)30-19-8-6-18(29-4)7-9-19/h5-10,13,16H,11-12,14-15H2,1-4H3