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

Systemtic Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-(4-methyl-1,4-diazepan-1-yl)-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C15H21N3O4 MolecularWeight: 307.34494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-12-4-5-14(13(10-12)18(20)21)22-11-15(19)17-7-3-6-16(2)8-9-17/h4-5,10H,3,6-9,11H2,1-2H3