(E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-4,5-diethoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-3-(3-bromo-4,5-diethoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(3-bromo-4,5-diethoxyphenyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-(3-bromo-4,5-diethoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-benzyl-3-(3-bromo-4,5-diethoxy-phenyl)-2-cyano-acrylamide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)Br)OCC

InChI

InChI=1S/C21H21BrN2O3/c1-3-26-19-12-16(11-18(22)20(19)27-4-2)10-17(13-23)21(25)24-14-15-8-6-5-7-9-15/h5-12H,3-4,14H2,1-2H3,(H,24,25)/b17-10+