(E)-N-(4-chloranyl-2-nitro-phenyl)-2-cyano-3-(3-iodanyl-4,5-dimethoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(4-chloranyl-2-nitro-phenyl)-2-cyano-3-(3-iodanyl-4,5-dimethoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(4-chloro-2-nitro-phenyl)-2-cyano-3-(3-iodo-4,5-dimethoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(4-chloro-2-nitrophenyl)-2-cyano-3-(3-iodo-4,5-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(4-chloro-2-nitro-phenyl)-2-cyano-3-(3-iodo-4,5-dimethoxy-phenyl)acrylamide Formula: C18H13ClIN3O5 MolecularWeight: 513.67039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])I)OC

InChI

InChI=1S/C18H13ClIN3O5/c1-27-16-7-10(6-13(20)17(16)28-2)5-11(9-21)18(24)22-14-4-3-12(19)8-15(14)23(25)26/h3-8H,1-2H3,(H,22,24)/b11-5+