methyl 3,5-bis(cyanomethyl)benzoate

Systemtic Name: methyl 3,5-bis(cyanomethyl)benzoate Openeye Name: methyl 3,5-bis(cyanomethyl)benzoate CAS Name: 3,5-bis(cyanomethyl)benzoic acid methyl ester IUPAC Name: methyl 3,5-bis(cyanomethyl)benzoate Traditional Name: 3,5-bis(cyanomethyl)benzoic acid methyl ester Formula: C12H10N2O2 MolecularWeight: 214.22

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O2/c1-16-12(15)11-7-9(2-4-13)6-10(8-11)3-5-14/h6-8H,2-3H2,1H3