[(E)-3-cyano-4-oxidanyl-but-2-enyl] 4-methoxybenzoate

Systemtic Name: [(E)-3-cyano-4-oxidanyl-but-2-enyl] 4-methoxybenzoate Openeye Name: [(E)-3-cyano-4-hydroxy-but-2-enyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(E)-3-cyano-4-hydroxybut-2-enyl] ester IUPAC Name: [(E)-3-cyano-4-hydroxybut-2-enyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(E)-3-cyano-4-hydroxy-but-2-enyl] ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC=C(CO)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC/C=C(/CO)\C#N

InChI

InChI=1S/C13H13NO4/c1-17-12-4-2-11(3-5-12)13(16)18-7-6-10(8-14)9-15/h2-6,15H,7,9H2,1H3/b10-6+