(E)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-2-morpholin-4-yl-phenyl)-2-cyano-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-[5-chloro-2-(4-morpholinyl)phenyl]-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(5-chloro-2-morpholino-phenyl)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylamide Formula: C21H19ClN4O6 MolecularWeight: 458.85176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C(C#N)C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)Cl)N3CCOCC3

InChI

InChI=1S/C21H19ClN4O6/c1-31-19-10-13(9-18(20(19)27)26(29)30)8-14(12-23)21(28)24-16-11-15(22)2-3-17(16)25-4-6-32-7-5-25/h2-3,8-11,27H,4-7H2,1H3,(H,24,28)/b14-8+