2-(azepan-1-yl)-N-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]-2-oxidanylidene-ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-[(E)-(4-methoxy-3-nitro-phenyl)methylideneamino]-2-oxidanylidene-ethanamide Openeye Name: 2-(azepan-1-yl)-N-[(E)-(4-methoxy-3-nitro-phenyl)methyleneamino]-2-oxo-acetamide CAS Name: 2-(1-azepanyl)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-oxoacetamide IUPAC Name: 2-(azepan-1-yl)-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-oxoacetamide Traditional Name: 2-(azepan-1-yl)-2-keto-N-[(E)-(4-methoxy-3-nitro-benzylidene)amino]acetamide Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5/c1-25-14-7-6-12(10-13(14)20(23)24)11-17-18-15(21)16(22)19-8-4-2-3-5-9-19/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,21)/b17-11+