(E)-3-[4-bromanyl-2-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-[2-cyanoethyl(methyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-[2-cyanoethyl(methyl)amino]phenyl]acrylic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=CC(=C1)Br)C=CC(=O)O

Isomeric SMILES

CN(CCC#N)C1=C(C=CC(=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C13H13BrN2O2/c1-16(8-2-7-15)12-9-11(14)5-3-10(12)4-6-13(17)18/h3-6,9H,2,8H2,1H3,(H,17,18)/b6-4+