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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(2-methoxyethylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-keto-2-(2-methoxyethylamino)ethyl]-3-nitro-benzamide Formula: C18H26N4O5 MolecularWeight: 378.42284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5/c1-27-11-8-19-17(23)13-20-18(24)14-6-7-15(16(12-14)22(25)26)21-9-4-2-3-5-10-21/h6-7,12H,2-5,8-11,13H2,1H3,(H,19,23)(H,20,24)