4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: 4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: 4-[2-(2-cyanoethylamino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3-methoxybenzoate IUPAC Name: 4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(2-cyanoethylamino)-2-keto-ethoxy]-3-methoxy-benzoate Formula: C13H13N2O5- MolecularWeight: 277.25272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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