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

Systemtic Name: (E)-N-(4-bromophenyl)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-(4-bromophenyl)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-bromophenyl)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-bromophenyl)-3-(4-butoxy-3-methoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-bromophenyl)-3-(4-butoxy-3-methoxy-phenyl)-2-cyano-acrylamide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)Br)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)Br)OC

InChI

InChI=1S/C21H21BrN2O3/c1-3-4-11-27-19-10-5-15(13-20(19)26-2)12-16(14-23)21(25)24-18-8-6-17(22)7-9-18/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)/b16-12+