3-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethoxy]benzoic acid CAS Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid IUPAC Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid Traditional Name: 3-[2-[2-cyanoethyl(methyl)amino]-2-keto-ethoxy]benzoic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CN(CCC#N)C(=O)COC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C13H14N2O4/c1-15(7-3-6-14)12(16)9-19-11-5-2-4-10(8-11)13(17)18/h2,4-5,8H,3,7,9H2,1H3,(H,17,18)