N-[4-[1,3-bis(oxidanyl)propan-2-yl]phenyl]-2-cyano-ethanamide

Systemtic Name: N-[4-[1,3-bis(oxidanyl)propan-2-yl]phenyl]-2-cyano-ethanamide Openeye Name: 2-cyano-N-[4-[2-hydroxy-1-(hydroxymethyl)ethyl]phenyl]acetamide CAS Name: 2-cyano-N-[4-(1,3-dihydroxypropan-2-yl)phenyl]acetamide IUPAC Name: 2-cyano-N-[4-(1,3-dihydroxypropan-2-yl)phenyl]acetamide Traditional Name: 2-cyano-N-[4-(2-hydroxy-1-methylol-ethyl)phenyl]acetamide Formula: C12H14N2O3 MolecularWeight: 234.25116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CO)CO)NC(=O)CC#N

Isomeric SMILES

C1=CC(=CC=C1C(CO)CO)NC(=O)CC#N

InChI

InChI=1S/C12H14N2O3/c13-6-5-12(17)14-11-3-1-9(2-4-11)10(7-15)8-16/h1-4,10,15-16H,5,7-8H2,(H,14,17)