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

Systemtic Name: [(E)-3-cyano-4-oxidanyl-but-2-enyl] benzoate Openeye Name: [(E)-3-cyano-4-hydroxy-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-3-cyano-4-hydroxybut-2-enyl] ester IUPAC Name: [(E)-3-cyano-4-hydroxybut-2-enyl] benzoate Traditional Name: benzoic acid [(E)-3-cyano-4-hydroxy-but-2-enyl] ester Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c13-8-10(9-14)6-7-16-12(15)11-4-2-1-3-5-11/h1-6,14H,7,9H2/b10-6+