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

Systemtic Name: 3-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-[2-(2-cyanoethylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 3-[2-(2-cyanoethylamino)-2-oxoethoxy]benzoic acid IUPAC Name: 3-[2-(2-cyanoethylamino)-2-oxoethoxy]benzoic acid Traditional Name: 3-[2-(2-cyanoethylamino)-2-keto-ethoxy]benzoic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c13-5-2-6-14-11(15)8-18-10-4-1-3-9(7-10)12(16)17/h1,3-4,7H,2,6,8H2,(H,14,15)(H,16,17)