2-cyano-3,3-dimethyl-4-oxidanylidene-pentanoic acid

Systemtic Name: 2-cyano-3,3-dimethyl-4-oxidanylidene-pentanoic acid Openeye Name: 2-cyano-3,3-dimethyl-4-oxo-pentanoic acid CAS Name: 2-cyano-3,3-dimethyl-4-oxopentanoic acid IUPAC Name: 2-cyano-3,3-dimethyl-4-oxopentanoic acid Traditional Name: 2-cyano-4-keto-3,3-dimethyl-valeric acid Formula: C8H11NO3 MolecularWeight: 169.17784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3/c1-5(10)8(2,3)6(4-9)7(11)12/h6H,1-3H3,(H,11,12)