methyl 4-cyano-3,3-dimethyl-butanoate

Systemtic Name: methyl 4-cyano-3,3-dimethyl-butanoate Openeye Name: methyl 4-cyano-3,3-dimethyl-butanoate CAS Name: 4-cyano-3,3-dimethylbutanoic acid methyl ester IUPAC Name: methyl 4-cyano-3,3-dimethylbutanoate Traditional Name: 4-cyano-3,3-dimethyl-butyric acid methyl ester Formula: C8H13NO2 MolecularWeight: 155.19432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H13NO2/c1-8(2,4-5-9)6-7(10)11-3/h4,6H2,1-3H3