2-methyl-1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)propan-1-one

Systemtic Name: 2-methyl-1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)propan-1-one Openeye Name: 2-methyl-1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)propan-1-one CAS Name: 2-methyl-1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitrophenoxy)-1-propanone IUPAC Name: 2-methyl-1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitrophenoxy)propan-1-one Traditional Name: 2-methyl-1-(4-methyl-1,4-diazepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)propan-1-one Formula: C17H25N3O4 MolecularWeight: 335.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)(C)C(=O)N2CCCN(CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)(C)C(=O)N2CCCN(CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O4/c1-13-12-14(6-7-15(13)20(22)23)24-17(2,3)16(21)19-9-5-8-18(4)10-11-19/h6-7,12H,5,8-11H2,1-4H3