(E)-3-[3,5-bis(bromanyl)-2-propoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: (E)-3-[3,5-bis(bromanyl)-2-propoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: (E)-2-cyano-3-(3,5-dibromo-2-propoxy-phenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3,5-dibromo-2-propoxyphenyl)-2-propenoate IUPAC Name: (E)-2-cyano-3-(3,5-dibromo-2-propoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3,5-dibromo-2-propoxy-phenyl)acrylate Formula: C13H10Br2NO3- MolecularWeight: 388.0314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C=C(C#N)C(=O)[O-])Br)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1/C=C(\C#N)/C(=O)[O-])Br)Br

InChI

InChI=1S/C13H11Br2NO3/c1-2-3-19-12-8(4-9(7-16)13(17)18)5-10(14)6-11(12)15/h4-6H,2-3H2,1H3,(H,17,18)/p-1/b9-4+