(E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-propoxy-phenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-N-(2,6-dimethylphenyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-propoxyphenyl)-2-cyano-N-(2,6-dimethylphenyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-propoxy-phenyl)-2-cyano-N-(2,6-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=CC=C2C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C(\C#N)/C(=O)NC2=C(C=CC=C2C)C

InChI

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