2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoic acid

Systemtic Name: 2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoic acid Openeye Name: 2-[2-(2-cyanoethylamino)-2-oxo-ethoxy]-3-methoxy-benzoic acid CAS Name: 2-[2-(2-cyanoethylamino)-2-oxoethoxy]-3-methoxybenzoic acid IUPAC Name: 2-[2-(2-cyanoethylamino)-2-oxoethoxy]-3-methoxybenzoic acid Traditional Name: 2-[2-(2-cyanoethylamino)-2-keto-ethoxy]-3-methoxy-benzoic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC(=O)NCCC#N)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCC(=O)NCCC#N)C(=O)O

InChI

InChI=1S/C13H14N2O5/c1-19-10-5-2-4-9(13(17)18)12(10)20-8-11(16)15-7-3-6-14/h2,4-5H,3,7-8H2,1H3,(H,15,16)(H,17,18)