(E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-N-(2,4-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-N-(2,4-dimethylphenyl)acrylamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C21H21BrN2O2/c1-4-9-26-20-8-6-18(22)12-16(20)11-17(13-23)21(25)24-19-7-5-14(2)10-15(19)3/h5-8,10-12H,4,9H2,1-3H3,(H,24,25)/b17-11+