tert-butyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H19NO3/c1-7-10(9(3)15)8(2)14-11(7)12(16)17-13(4,5)6/h14H,1-6H3