5-tert-butyl-1-[2-(4-nitrophenyl)-3-oxidanyl-propyl]azepan-2-one

Systemtic Name: 5-tert-butyl-1-[2-(4-nitrophenyl)-3-oxidanyl-propyl]azepan-2-one Openeye Name: 5-tert-butyl-1-[3-hydroxy-2-(4-nitrophenyl)propyl]azepan-2-one CAS Name: 5-tert-butyl-1-[3-hydroxy-2-(4-nitrophenyl)propyl]-2-azepanone IUPAC Name: 5-tert-butyl-1-[3-hydroxy-2-(4-nitrophenyl)propyl]azepan-2-one Traditional Name: 5-tert-butyl-1-[3-hydroxy-2-(4-nitrophenyl)propyl]azepan-2-one Formula: C19H28N2O4 MolecularWeight: 348.43662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=O)N(CC1)CC(CO)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(=O)N(CC1)CC(CO)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H28N2O4/c1-19(2,3)16-6-9-18(23)20(11-10-16)12-15(13-22)14-4-7-17(8-5-14)21(24)25/h4-5,7-8,15-16,22H,6,9-13H2,1-3H3