methyl 4-(2-cyano-1-oxidanyl-ethyl)benzoate

Systemtic Name: methyl 4-(2-cyano-1-oxidanyl-ethyl)benzoate Openeye Name: methyl 4-(2-cyano-1-hydroxy-ethyl)benzoate CAS Name: 4-(2-cyano-1-hydroxyethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-cyano-1-hydroxyethyl)benzoate Traditional Name: 4-(2-cyano-1-hydroxy-ethyl)benzoic acid methyl ester Formula: C11H11NO3 MolecularWeight: 205.20994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO3/c1-15-11(14)9-4-2-8(3-5-9)10(13)6-7-12/h2-5,10,13H,6H2,1H3