4-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 4-[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 4-[2-[2-cyanoethyl(methyl)amino]-2-oxo-ethoxy]benzoic acid CAS Name: 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid IUPAC Name: 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid Traditional Name: 4-[2-[2-cyanoethyl(methyl)amino]-2-keto-ethoxy]benzoic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-15(8-2-7-14)12(16)9-19-11-5-3-10(4-6-11)13(17)18/h3-6H,2,8-9H2,1H3,(H,17,18)