(E)-3-[4-bromanyl-2-(diethylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-(diethylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(diethylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(diethylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(diethylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(diethylamino)phenyl]acrylic acid Formula: C13H16BrNO2 MolecularWeight: 298.17564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC(=C1)Br)C=CC(=O)O

Isomeric SMILES

CCN(CC)C1=C(C=CC(=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C13H16BrNO2/c1-3-15(4-2)12-9-11(14)7-5-10(12)6-8-13(16)17/h5-9H,3-4H2,1-2H3,(H,16,17)/b8-6+