(E)-2-cyano-3-(4-ethylphenyl)but-2-enoate

Systemtic Name: (E)-2-cyano-3-(4-ethylphenyl)but-2-enoate Openeye Name: (E)-2-cyano-3-(4-ethylphenyl)but-2-enoate CAS Name: (E)-2-cyano-3-(4-ethylphenyl)-2-butenoate IUPAC Name: (E)-2-cyano-3-(4-ethylphenyl)but-2-enoate Traditional Name: (E)-2-cyano-3-(4-ethylphenyl)but-2-enoate Formula: C13H12NO2- MolecularWeight: 214.23988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=C(C#N)C(=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)/C(=C(\C#N)/C(=O)[O-])/C

InChI

InChI=1S/C13H13NO2/c1-3-10-4-6-11(7-5-10)9(2)12(8-14)13(15)16/h4-7H,3H2,1-2H3,(H,15,16)/p-1/b12-9+