4-cyanobenzoic acid; 2-(2-oxidanylidenepyrrolidin-1-yl)ethyl 4-cyanobenzoate

Systemtic Name: 4-cyanobenzoic acid; 2-(2-oxidanylidenepyrrolidin-1-yl)ethyl 4-cyanobenzoate Openeye Name: 4-cyanobenzoic acid; 2-(2-oxopyrrolidin-1-yl)ethyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid; 4-cyanobenzoic acid 2-(2-oxo-1-pyrrolidinyl)ethyl ester IUPAC Name: 4-cyanobenzoic acid; 2-(2-oxopyrrolidin-1-yl)ethyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid; 4-cyanobenzoic acid 2-(2-ketopyrrolidino)ethyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCOC(=O)C2=CC=C(C=C2)C#N.C1=CC(=CC=C1C#N)C(=O)O

Isomeric SMILES

C1CC(=O)N(C1)CCOC(=O)C2=CC=C(C=C2)C#N.C1=CC(=CC=C1C#N)C(=O)O

InChI

InChI=1S/C14H14N2O3.C8H5NO2/c15-10-11-3-5-12(6-4-11)14(18)19-9-8-16-7-1-2-13(16)17;9-5-6-1-3-7(4-2-6)8(10)11/h3-6H,1-2,7-9H2;1-4H,(H,10,11)