(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-2-m-anisoyl-acrylonitrile Formula: C21H20BrNO4 MolecularWeight: 430.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)C2=CC(=CC=C2)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)OC)OC

InChI

InChI=1S/C21H20BrNO4/c1-4-8-27-21-18(22)10-14(11-19(21)26-3)9-16(13-23)20(24)15-6-5-7-17(12-15)25-2/h5-7,9-12H,4,8H2,1-3H3/b16-9+