2-[4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(cyanomethylamino)-2-oxo-ethoxy]phenyl]acetic acid CAS Name: 2-[4-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]acetic acid IUPAC Name: 2-[4-[2-(cyanomethylamino)-2-oxoethoxy]phenyl]acetic acid Traditional Name: 2-[4-[2-(cyanomethylamino)-2-keto-ethoxy]phenyl]acetic acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)OCC(=O)NCC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)OCC(=O)NCC#N

InChI

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