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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(dimethylamino)-2-oxidanylidene-ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(dimethylamino)-2-oxo-ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(dimethylamino)-2-keto-ethyl]-N-methyl-3-nitro-benzamide Formula: C18H26N4O4 MolecularWeight: 362.42344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4/c1-19(2)17(23)13-20(3)18(24)14-8-9-15(16(12-14)22(25)26)21-10-6-4-5-7-11-21/h8-9,12H,4-7,10-11,13H2,1-3H3