1-(4,5-dimethoxy-2-nitro-phenyl)azepane

Systemtic Name: 1-(4,5-dimethoxy-2-nitro-phenyl)azepane Openeye Name: 1-(4,5-dimethoxy-2-nitro-phenyl)azepane CAS Name: 1-(4,5-dimethoxy-2-nitrophenyl)azepane IUPAC Name: 1-(4,5-dimethoxy-2-nitrophenyl)azepane Traditional Name: 1-(4,5-dimethoxy-2-nitro-phenyl)azepane Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)N2CCCCCC2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)N2CCCCCC2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H20N2O4/c1-19-13-9-11(15-7-5-3-4-6-8-15)12(16(17)18)10-14(13)20-2/h9-10H,3-8H2,1-2H3