4,5-dimethoxy-2-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4,5-dimethoxy-2-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4,5-dimethoxy-2-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C18H25N3O6/c1-26-15-11-13(14(21(24)25)12-16(15)27-2)18(23)19-8-6-10-20-9-5-3-4-7-17(20)22/h11-12H,3-10H2,1-2H3,(H,19,23)