[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N(C)C)OC(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H14N2O3/c1-9(12(16)15(2)3)18-13(17)11-6-4-5-10(7-11)8-14/h4-7,9H,1-3H3/t9-/m1/s1