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

Systemtic Name: (E)-3-(2-butoxyphenyl)-2-cyano-N-(2-methyl-5-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(2-butoxyphenyl)-2-cyano-N-(2-methyl-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(2-butoxyphenyl)-2-cyano-N-(2-methyl-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(2-butoxyphenyl)-2-cyano-N-(2-methyl-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(2-butoxyphenyl)-2-cyano-N-(2-methyl-5-nitro-phenyl)acrylamide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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