(E)-4-(4-cyano-3-methyl-phenyl)but-3-enoic acid

Systemtic Name: (E)-4-(4-cyano-3-methyl-phenyl)but-3-enoic acid Openeye Name: (E)-4-(4-cyano-3-methyl-phenyl)but-3-enoic acid CAS Name: (E)-4-(4-cyano-3-methylphenyl)-3-butenoic acid IUPAC Name: (E)-4-(4-cyano-3-methylphenyl)but-3-enoic acid Traditional Name: (E)-4-(4-cyano-3-methyl-phenyl)but-3-enoic acid Formula: C12H11NO2 MolecularWeight: 201.22124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2/c1-9-7-10(3-2-4-12(14)15)5-6-11(9)8-13/h2-3,5-7H,4H2,1H3,(H,14,15)/b3-2+