(2-methyl-3-oxidanyl-propyl) 3-cyanobenzoate

Systemtic Name: (2-methyl-3-oxidanyl-propyl) 3-cyanobenzoate Openeye Name: (3-hydroxy-2-methyl-propyl) 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (3-hydroxy-2-methylpropyl) ester IUPAC Name: (3-hydroxy-2-methylpropyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (3-hydroxy-2-methyl-propyl) ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-9(7-14)8-16-12(15)11-4-2-3-10(5-11)6-13/h2-5,9,14H,7-8H2,1H3