2-cyanobutan-2-yl 3-oxidanylidenebutanoate

Systemtic Name: 2-cyanobutan-2-yl 3-oxidanylidenebutanoate Openeye Name: (1-cyano-1-methyl-propyl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-cyanobutan-2-yl ester IUPAC Name: 2-cyanobutan-2-yl 3-oxobutanoate Traditional Name: 3-ketobutyric acid (1-cyano-1-methyl-propyl) ester Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13NO3/c1-4-9(3,6-10)13-8(12)5-7(2)11/h4-5H2,1-3H3