2-(4-cyanophenyl)-2-ethyl-butanoate

Systemtic Name: 2-(4-cyanophenyl)-2-ethyl-butanoate Openeye Name: 2-(4-cyanophenyl)-2-ethyl-butanoate CAS Name: 2-(4-cyanophenyl)-2-ethylbutanoate IUPAC Name: 2-(4-cyanophenyl)-2-ethylbutanoate Traditional Name: 2-(4-cyanophenyl)-2-ethyl-butyrate Formula: C13H14NO2- MolecularWeight: 216.25576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-3-13(4-2,12(15)16)11-7-5-10(9-14)6-8-11/h5-8H,3-4H2,1-2H3,(H,15,16)/p-1