[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-cyanobenzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(allylamino)-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)NCC=C)OC(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-3-7-16-13(17)10(2)19-14(18)12-6-4-5-11(8-12)9-15/h3-6,8,10H,1,7H2,2H3,(H,16,17)