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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4/c15-7-2-8-16-13(17)10-20-12-4-1-3-11(9-12)5-6-14(18)19/h1,3-6,9H,2,8,10H2,(H,16,17)(H,18,19)/b6-5+