methyl 2,2-bis(2-cyanoethyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 2,2-bis(2-cyanoethyl)-3-oxidanylidene-butanoate Openeye Name: methyl 2,2-bis(2-cyanoethyl)-3-oxo-butanoate CAS Name: 2,2-bis(2-cyanoethyl)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2,2-bis(2-cyanoethyl)-3-oxobutanoate Traditional Name: 2,2-bis(2-cyanoethyl)-3-keto-butyric acid methyl ester Formula: C11H14N2O3 MolecularWeight: 222.24046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3/c1-9(14)11(5-3-7-12,6-4-8-13)10(15)16-2/h3-6H2,1-2H3