(E)-2-cyano-3-(4-methoxy-2,6-dimethyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(4-methoxy-2,6-dimethyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-methoxy-2,6-dimethyl-phenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(4-methoxy-2,6-dimethylphenyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-methoxy-2,6-dimethyl-phenyl)acrylic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C=C(C#N)C(=O)O)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-8-4-11(17-3)5-9(2)12(8)6-10(7-14)13(15)16/h4-6H,1-3H3,(H,15,16)/b10-6+