(E)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-N-(3-nitrophenyl)prop-2-enamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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