(E)-4-(azepan-1-yl)-N-(4-methoxy-2-nitro-phenyl)-4-oxidanylidene-but-2-enamide

Systemtic Name: (E)-4-(azepan-1-yl)-N-(4-methoxy-2-nitro-phenyl)-4-oxidanylidene-but-2-enamide Openeye Name: (E)-4-(azepan-1-yl)-N-(4-methoxy-2-nitro-phenyl)-4-oxo-but-2-enamide CAS Name: (E)-4-(1-azepanyl)-N-(4-methoxy-2-nitrophenyl)-4-oxo-2-butenamide IUPAC Name: (E)-4-(azepan-1-yl)-N-(4-methoxy-2-nitrophenyl)-4-oxobut-2-enamide Traditional Name: (E)-4-(azepan-1-yl)-4-keto-N-(4-methoxy-2-nitro-phenyl)but-2-enamide Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-25-13-6-7-14(15(12-13)20(23)24)18-16(21)8-9-17(22)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3,(H,18,21)/b9-8+