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

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methyl-4-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methyl-4-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methyl-4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(2-methyl-4-nitro-phenyl)acrylamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-4-11-28-19-8-5-16(6-9-19)13-17(14-22)21(25)23-20-10-7-18(24(26)27)12-15(20)2/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,25)/b17-13+