ethyl (2E)-2-[(2-chloranyl-5-nitro-phenyl)methylidene]-4,4-diethoxy-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[(2-chloranyl-5-nitro-phenyl)methylidene]-4,4-diethoxy-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[(2-chloro-5-nitro-phenyl)methylene]-4,4-diethoxy-3-oxo-butanoate CAS Name: (2E)-2-[(2-chloro-5-nitrophenyl)methylidene]-4,4-diethoxy-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(2-chloro-5-nitrophenyl)methylidene]-4,4-diethoxy-3-oxobutanoate Traditional Name: (E)-3-(2-chloro-5-nitro-phenyl)-2-(2,2-diethoxyacetyl)acrylic acid ethyl ester Formula: C17H20ClNO7 MolecularWeight: 385.7962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)OCC)OCC

Isomeric SMILES

CCOC(C(=O)/C(=C\C1=C(C=CC(=C1)[N+](=O)[O-])Cl)/C(=O)OCC)OCC

InChI

InChI=1S/C17H20ClNO7/c1-4-24-16(21)13(15(20)17(25-5-2)26-6-3)10-11-9-12(19(22)23)7-8-14(11)18/h7-10,17H,4-6H2,1-3H3/b13-10+