methyl 4-(cyanomethyl)-3-ethoxy-benzoate

Systemtic Name: methyl 4-(cyanomethyl)-3-ethoxy-benzoate Openeye Name: methyl 4-(cyanomethyl)-3-ethoxy-benzoate CAS Name: 4-(cyanomethyl)-3-ethoxybenzoic acid methyl ester IUPAC Name: methyl 4-(cyanomethyl)-3-ethoxybenzoate Traditional Name: 4-(cyanomethyl)-3-ethoxy-benzoic acid methyl ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC)CC#N

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OC)CC#N

InChI

InChI=1S/C12H13NO3/c1-3-16-11-8-10(12(14)15-2)5-4-9(11)6-7-13/h4-5,8H,3,6H2,1-2H3