4-(azepan-1-yl)-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(dimethylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(dimethylamino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(dimethylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O4/c1-19(2)16(22)12-18-17(23)13-7-8-14(15(11-13)21(24)25)20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,23)