1-(azepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(azepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-(1-azepanyl)-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-(azepan-1-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-12-10-13(6-7-14(12)17(19)20)21-11-15(18)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3