azepan-1-yl-(3,4,5-trimethoxy-2-nitro-phenyl)methanone

Systemtic Name: azepan-1-yl-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Openeye Name: azepan-1-yl-(3,4,5-trimethoxy-2-nitro-phenyl)methanone CAS Name: 1-azepanyl-(3,4,5-trimethoxy-2-nitrophenyl)methanone IUPAC Name: azepan-1-yl-(3,4,5-trimethoxy-2-nitrophenyl)methanone Traditional Name: azepan-1-yl-(3,4,5-trimethoxy-2-nitro-phenyl)methanone Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6/c1-22-12-10-11(16(19)17-8-6-4-5-7-9-17)13(18(20)21)15(24-3)14(12)23-2/h10H,4-9H2,1-3H3