(E)-2-cyano-3-(4-ethylphenyl)but-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4-ethylphenyl)but-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-ethylphenyl)but-2-enoic acid CAS Name: (E)-2-cyano-3-(4-ethylphenyl)-2-butenoic acid IUPAC Name: (E)-2-cyano-3-(4-ethylphenyl)but-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-ethylphenyl)but-2-enoic acid Formula: C13H13NO2 MolecularWeight: 215.24782

Click to see the large picture

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)/b12-9+