ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C11H13NO2 MolecularWeight: 191.22642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2/c1-5-9-7(3)10(12-8(9)4)11(13)14-6-2/h1,12H,6H2,2-4H3