[2-(diethylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)CC#N

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)CC#N

InChI

InChI=1S/C16H19N3O4/c1-3-19(4-2)15(21)11-23-16(22)12-5-7-13(8-6-12)18-14(20)9-10-17/h5-8H,3-4,9,11H2,1-2H3,(H,18,20)