tert-butyl 2-cyano-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: tert-butyl 2-cyano-2-oxidanyl-2-phenyl-ethanoate Openeye Name: tert-butyl 2-cyano-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyano-2-hydroxy-2-phenylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-hydroxy-2-phenylacetate Traditional Name: 2-cyano-2-hydroxy-2-phenyl-acetic acid tert-butyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C#N)(C1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C)OC(=O)C(C#N)(C1=CC=CC=C1)O

InChI

InChI=1S/C13H15NO3/c1-12(2,3)17-11(15)13(16,9-14)10-7-5-4-6-8-10/h4-8,16H,1-3H3