(4-chloranyl-3-nitro-phenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Openeye Name: (4-chloro-3-nitro-phenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: (4-chloro-3-nitrophenyl)-[2-(4-methoxyphenyl)-1-azepanyl]methanone IUPAC Name: (4-chloro-3-nitrophenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: (4-chloro-3-nitro-phenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C20H21ClN2O4 MolecularWeight: 388.84474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O4/c1-27-16-9-6-14(7-10-16)18-5-3-2-4-12-22(18)20(24)15-8-11-17(21)19(13-15)23(25)26/h6-11,13,18H,2-5,12H2,1H3