(E)-3-[4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(2-cyanoethylamino)-2-oxo-ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-(2-cyanoethylamino)-2-oxoethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-(2-cyanoethylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-(2-cyanoethylamino)-2-keto-ethoxy]phenyl]acrylic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)OCC(=O)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4/c15-8-1-9-16-13(17)10-20-12-5-2-11(3-6-12)4-7-14(18)19/h2-7H,1,9-10H2,(H,16,17)(H,18,19)/b7-4+