(E)-2-cyano-3-(2-methoxy-5-methyl-phenyl)but-2-enoic acid

Systemtic Name: (E)-2-cyano-3-(2-methoxy-5-methyl-phenyl)but-2-enoic acid Openeye Name: (E)-2-cyano-3-(2-methoxy-5-methyl-phenyl)but-2-enoic acid CAS Name: (E)-2-cyano-3-(2-methoxy-5-methylphenyl)-2-butenoic acid IUPAC Name: (E)-2-cyano-3-(2-methoxy-5-methylphenyl)but-2-enoic acid Traditional Name: (E)-2-cyano-3-(2-methoxy-5-methyl-phenyl)but-2-enoic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3/c1-8-4-5-12(17-3)10(6-8)9(2)11(7-14)13(15)16/h4-6H,1-3H3,(H,15,16)/b11-9+