(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-(2-cyanoethanoylamino)benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C16H17N3O4 MolecularWeight: 315.32388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1CCN(C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C16H17N3O4/c17-8-7-14(20)18-13-5-3-12(4-6-13)16(22)23-11-15(21)19-9-1-2-10-19/h3-6H,1-2,7,9-11H2,(H,18,20)