(E)-3-cyano-4-(4-methylphenyl)pent-3-enoic acid

Systemtic Name: (E)-3-cyano-4-(4-methylphenyl)pent-3-enoic acid Openeye Name: (E)-3-cyano-4-(p-tolyl)pent-3-enoic acid CAS Name: (E)-3-cyano-4-(4-methylphenyl)-3-pentenoic acid IUPAC Name: (E)-3-cyano-4-(4-methylphenyl)pent-3-enoic acid Traditional Name: (E)-3-cyano-4-(p-tolyl)pent-3-enoic acid Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C(CC(=O)O)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C(\CC(=O)O)/C#N)/C

InChI

InChI=1S/C13H13NO2/c1-9-3-5-11(6-4-9)10(2)12(8-14)7-13(15)16/h3-6H,7H2,1-2H3,(H,15,16)/b12-10+