[(S)-cyano(furan-2-yl)methyl] benzoate

Systemtic Name: [(S)-cyano(furan-2-yl)methyl] benzoate Openeye Name: [(S)-cyano(2-furyl)methyl] benzoate CAS Name: benzoic acid [(S)-cyano(2-furanyl)methyl] ester IUPAC Name: [(S)-cyano(furan-2-yl)methyl] benzoate Traditional Name: benzoic acid [(S)-cyano(2-furyl)methyl] ester Formula: C13H9NO3 MolecularWeight: 227.21546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C#N)C2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H](C#N)C2=CC=CO2

InChI

InChI=1S/C13H9NO3/c14-9-12(11-7-4-8-16-11)17-13(15)10-5-2-1-3-6-10/h1-8,12H/t12-/m0/s1