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

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-cyanobenzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H14N2O3 MolecularWeight: 258.27256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H14N2O3/c1-9(13(17)16-12-6-7-12)19-14(18)11-4-2-10(8-15)3-5-11/h2-5,9,12H,6-7H2,1H3,(H,16,17)