ethyl (2S,5Z)-5-(cyanomethylidene)pyrrolidine-2-carboxylate

Systemtic Name: ethyl (2S,5Z)-5-(cyanomethylidene)pyrrolidine-2-carboxylate Openeye Name: ethyl (2S,5Z)-5-(cyanomethylene)pyrrolidine-2-carboxylate CAS Name: (2S,5Z)-5-(cyanomethylidene)-2-pyrrolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,5Z)-5-(cyanomethylidene)pyrrolidine-2-carboxylate Traditional Name: (2S,5Z)-5-(cyanomethylene)pyrrolidine-2-carboxylic acid ethyl ester Formula: C9H12N2O2 MolecularWeight: 180.20378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=CC#N)N1

Isomeric SMILES

CCOC(=O)[C@@H]1CC/C(=C/C#N)/N1

InChI

InChI=1S/C9H12N2O2/c1-2-13-9(12)8-4-3-7(11-8)5-6-10/h5,8,11H,2-4H2,1H3/b7-5-/t8-/m0/s1