ethyl 4-(2-cyano-1-oxidanyl-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(2-cyano-1-oxidanyl-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-cyano-1-hydroxy-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-cyano-1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-cyano-1-hydroxyethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-cyano-1-hydroxy-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H16N2O3 MolecularWeight: 236.26704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(CC#N)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(CC#N)O)C

InChI

InChI=1S/C12H16N2O3/c1-4-17-12(16)11-7(2)10(8(3)14-11)9(15)5-6-13/h9,14-15H,4-5H2,1-3H3