methyl 3-cyanobenzoate

Systemtic Name: methyl 3-cyanobenzoate Openeye Name: methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid methyl ester IUPAC Name: methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid methyl ester Formula: C9H7NO2 MolecularWeight: 161.15738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,1H3