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

Systemtic Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitro-phenoxy)propan-1-one Openeye Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitro-phenoxy)propan-1-one CAS Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitrophenoxy)-1-propanone IUPAC Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitrophenoxy)propan-1-one Traditional Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitro-phenoxy)propan-1-one Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4/c1-12-5-6-15(14(11-12)19(21)22)23-13(2)16(20)18-8-4-7-17(3)9-10-18/h5-6,11,13H,4,7-10H2,1-3H3