4-ethoxy-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[3-(2-oxidanylideneazepan-1-yl)propyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[3-(2-oxo-1-azepanyl)propyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide Traditional Name: 4-ethoxy-N-[3-(2-ketoazepan-1-yl)propyl]-3-nitro-benzamide Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCCCN2CCCCCC2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-2-26-16-9-8-14(13-15(16)21(24)25)18(23)19-10-6-12-20-11-5-3-4-7-17(20)22/h8-9,13H,2-7,10-12H2,1H3,(H,19,23)