methyl 5-(2-cyanoethanoyl)-2-oxidanyl-benzoate

Systemtic Name: methyl 5-(2-cyanoethanoyl)-2-oxidanyl-benzoate Openeye Name: methyl 5-(2-cyanoacetyl)-2-hydroxy-benzoate CAS Name: 5-(2-cyano-1-oxoethyl)-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-(2-cyanoacetyl)-2-hydroxybenzoate Traditional Name: 5-(2-cyanoacetyl)-2-hydroxy-benzoic acid methyl ester Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO4/c1-16-11(15)8-6-7(2-3-10(8)14)9(13)4-5-12/h2-3,6,14H,4H2,1H3