2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-5-methoxy-benzoic acid

Systemtic Name: 2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-5-methoxy-benzoic acid Openeye Name: 2-[2-(2-cyanoethylamino)-2-oxo-ethoxy]-5-methoxy-benzoic acid CAS Name: 2-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid IUPAC Name: 2-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid Traditional Name: 2-[2-(2-cyanoethylamino)-2-keto-ethoxy]-5-methoxy-benzoic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)NCCC#N)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)NCCC#N)C(=O)O

InChI

InChI=1S/C13H14N2O5/c1-19-9-3-4-11(10(7-9)13(17)18)20-8-12(16)15-6-2-5-14/h3-4,7H,2,6,8H2,1H3,(H,15,16)(H,17,18)