(E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methoxy-5-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methoxy-5-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methoxy-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methoxy-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methoxy-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methoxy-5-nitro-phenyl)acrylamide Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O5/c1-3-4-11-29-18-8-5-15(6-9-18)12-16(14-22)21(25)23-19-13-17(24(26)27)7-10-20(19)28-2/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)/b16-12+