methyl 3-(2-cyanoethylcarbamoyl)benzoate

Systemtic Name: methyl 3-(2-cyanoethylcarbamoyl)benzoate Openeye Name: methyl 3-(2-cyanoethylcarbamoyl)benzoate CAS Name: 3-[(2-cyanoethylamino)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2-cyanoethylcarbamoyl)benzoate Traditional Name: 3-(2-cyanoethylcarbamoyl)benzoic acid methyl ester Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3/c1-17-12(16)10-5-2-4-9(8-10)11(15)14-7-3-6-13/h2,4-5,8H,3,7H2,1H3,(H,14,15)