2-cyanopropan-2-yl 3-oxidanylidenebutanoate

Systemtic Name: 2-cyanopropan-2-yl 3-oxidanylidenebutanoate Openeye Name: (1-cyano-1-methyl-ethyl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-cyanopropan-2-yl ester IUPAC Name: 2-cyanopropan-2-yl 3-oxobutanoate Traditional Name: 3-ketobutyric acid (1-cyano-1-methyl-ethyl) ester Formula: C8H11NO3 MolecularWeight: 169.17784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11NO3/c1-6(10)4-7(11)12-8(2,3)5-9/h4H2,1-3H3