(E)-2-cyano-3-(3,4-dimethylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(3,4-dimethylphenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(3,4-dimethylphenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(3,4-dimethylphenyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(3,4-dimethylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(3,4-dimethylphenyl)acrylic acid Formula: C12H11NO2 MolecularWeight: 201.22124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO2/c1-8-3-4-10(5-9(8)2)6-11(7-13)12(14)15/h3-6H,1-2H3,(H,14,15)/b11-6+