(E)-3-(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-ethoxy-phenyl)-2-benzoyl-prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-ethoxy-phenyl)-2-benzoyl-acrylonitrile Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO3/c1-3-10-26-21-18(22)12-15(13-19(21)25-4-2)11-17(14-23)20(24)16-8-6-5-7-9-16/h3,5-9,11-13H,1,4,10H2,2H3/b17-11+