(E)-3-[5-bromanyl-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-bromanyl-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[2-(2-cyanoethylamino)-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[2-(2-cyanoethylamino)-2-oxoethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-[2-(2-cyanoethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-[2-(2-cyanoethylamino)-2-keto-ethoxy]phenyl]acrylic acid Formula: C14H13BrN2O4 MolecularWeight: 353.16802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC(=O)O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C(=O)O)OCC(=O)NCCC#N

InChI

InChI=1S/C14H13BrN2O4/c15-11-3-4-12(10(8-11)2-5-14(19)20)21-9-13(18)17-7-1-6-16/h2-5,8H,1,7,9H2,(H,17,18)(H,19,20)/b5-2+