2-(2-cyano-1-oxidanyl-ethyl)-3,3-dimethyl-butanoate

Systemtic Name: 2-(2-cyano-1-oxidanyl-ethyl)-3,3-dimethyl-butanoate Openeye Name: 2-(2-cyano-1-hydroxy-ethyl)-3,3-dimethyl-butanoate CAS Name: 2-(2-cyano-1-hydroxyethyl)-3,3-dimethylbutanoate IUPAC Name: 2-(2-cyano-1-hydroxyethyl)-3,3-dimethylbutanoate Traditional Name: 2-(2-cyano-1-hydroxy-ethyl)-3,3-dimethyl-butyrate Formula: C9H14NO3- MolecularWeight: 184.21236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(CC#N)O)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(C(CC#N)O)C(=O)[O-]

InChI

InChI=1S/C9H15NO3/c1-9(2,3)7(8(12)13)6(11)4-5-10/h6-7,11H,4H2,1-3H3,(H,12,13)/p-1