[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-3-15-12(16)9(2)18-13(17)11-6-4-5-10(7-11)8-14/h4-7,9H,3H2,1-2H3,(H,15,16)/t9-/m0/s1