4-(azepan-1-yl)-N-butyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-butyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-butyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-butyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-butyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-butyl-3-nitro-benzamide Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-2-3-10-18-17(21)14-8-9-15(16(13-14)20(22)23)19-11-6-4-5-7-12-19/h8-9,13H,2-7,10-12H2,1H3,(H,18,21)