methyl 4-cyano-4-methyl-3-oxidanyl-pentanoate

Systemtic Name: methyl 4-cyano-4-methyl-3-oxidanyl-pentanoate Openeye Name: methyl 4-cyano-3-hydroxy-4-methyl-pentanoate CAS Name: 4-cyano-3-hydroxy-4-methylpentanoic acid methyl ester IUPAC Name: methyl 4-cyano-3-hydroxy-4-methylpentanoate Traditional Name: 4-cyano-3-hydroxy-4-methyl-valeric acid methyl ester Formula: C8H13NO3 MolecularWeight: 171.19372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO3/c1-8(2,5-9)6(10)4-7(11)12-3/h6,10H,4H2,1-3H3