(E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-2-(2-methylfuran-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-[(2-methyl-3-furanyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-2-(2-methyl-3-furoyl)acrylonitrile Formula: C16H12BrNO3 MolecularWeight: 346.17538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)C(=CC2=CC(=C(C=C2)OC)Br)C#N

Isomeric SMILES

CC1=C(C=CO1)C(=O)/C(=C/C2=CC(=C(C=C2)OC)Br)/C#N

InChI

InChI=1S/C16H12BrNO3/c1-10-13(5-6-21-10)16(19)12(9-18)7-11-3-4-15(20-2)14(17)8-11/h3-8H,1-2H3/b12-7+