[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-cyanobenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-9(2)15-12(16)8-18-13(17)11-5-3-4-10(6-11)7-14/h3-6,9H,8H2,1-2H3,(H,15,16)