ethyl 2-cyano-2-(4-ethanoylphenyl)ethanoate

Systemtic Name: ethyl 2-cyano-2-(4-ethanoylphenyl)ethanoate Openeye Name: ethyl 2-(4-acetylphenyl)-2-cyano-acetate CAS Name: 2-(4-acetylphenyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(4-acetylphenyl)-2-cyanoacetate Traditional Name: 2-(4-acetylphenyl)-2-cyano-acetic acid ethyl ester Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=CC=C(C=C1)C(=O)C

Isomeric SMILES

CCOC(=O)C(C#N)C1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C13H13NO3/c1-3-17-13(16)12(8-14)11-6-4-10(5-7-11)9(2)15/h4-7,12H,3H2,1-2H3