4-cyano-2,2-dimethyl-4-pyridin-2-yl-butanoate

Systemtic Name: 4-cyano-2,2-dimethyl-4-pyridin-2-yl-butanoate Openeye Name: 4-cyano-2,2-dimethyl-4-(2-pyridyl)butanoate CAS Name: 4-cyano-2,2-dimethyl-4-(2-pyridinyl)butanoate IUPAC Name: 4-cyano-2,2-dimethyl-4-pyridin-2-ylbutanoate Traditional Name: 4-cyano-2,2-dimethyl-4-(2-pyridyl)butyrate Formula: C12H13N2O2- MolecularWeight: 217.24382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C#N)C1=CC=CC=N1)C(=O)[O-]

Isomeric SMILES

CC(C)(CC(C#N)C1=CC=CC=N1)C(=O)[O-]

InChI

InChI=1S/C12H14N2O2/c1-12(2,11(15)16)7-9(8-13)10-5-3-4-6-14-10/h3-6,9H,7H2,1-2H3,(H,15,16)/p-1