[(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate

Systemtic Name: [(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1R)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H16N2O4 MolecularWeight: 336.34134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H16N2O4/c1-12(25-19(24)16-5-3-14(11-20)4-6-16)18(23)15-7-9-17(10-8-15)21-13(2)22/h3-10,12H,1-2H3,(H,21,22)/t12-/m1/s1