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

Systemtic Name: (E)-N-(2-chloranyl-4-nitro-phenyl)-2-cyano-3-(3,4-diethoxy-5-iodanyl-phenyl)prop-2-enamide Openeye Name: (E)-N-(2-chloro-4-nitro-phenyl)-2-cyano-3-(3,4-diethoxy-5-iodo-phenyl)prop-2-enamide CAS Name: (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-(3,4-diethoxy-5-iodophenyl)-2-propenamide IUPAC Name: (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-(3,4-diethoxy-5-iodophenyl)prop-2-enamide Traditional Name: (E)-N-(2-chloro-4-nitro-phenyl)-2-cyano-3-(3,4-diethoxy-5-iodo-phenyl)acrylamide Formula: C20H17ClIN3O5 MolecularWeight: 541.72355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)I)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)I)OCC

InChI

InChI=1S/C20H17ClIN3O5/c1-3-29-18-9-12(8-16(22)19(18)30-4-2)7-13(11-23)20(26)24-17-6-5-14(25(27)28)10-15(17)21/h5-10H,3-4H2,1-2H3,(H,24,26)/b13-7+