ethyl 4-(1-cyanoethylcarbamoyl)benzoate

Systemtic Name: ethyl 4-(1-cyanoethylcarbamoyl)benzoate Openeye Name: ethyl 4-(1-cyanoethylcarbamoyl)benzoate CAS Name: 4-[(1-cyanoethylamino)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1-cyanoethylcarbamoyl)benzoate Traditional Name: 4-(1-cyanoethylcarbamoyl)benzoic acid ethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=O)NC(C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)NC(C)C#N

InChI

InChI=1S/C13H14N2O3/c1-3-18-13(17)11-6-4-10(5-7-11)12(16)15-9(2)8-14/h4-7,9H,3H2,1-2H3,(H,15,16)