(E)-2-cyano-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(3,5-dimethyl-4-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-cyano-3-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enoic acid CAS Name: (E)-2-cyano-3-(4-hydroxy-3,5-dimethylphenyl)-2-propenoic acid IUPAC Name: (E)-2-cyano-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(4-hydroxy-3,5-dimethyl-phenyl)acrylic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C#N)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C12H11NO3/c1-7-3-9(4-8(2)11(7)14)5-10(6-13)12(15)16/h3-5,14H,1-2H3,(H,15,16)/b10-5+