ethyl 4-ethanoyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethanoyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C13H19NO3/c1-5-7-10-11(9(4)15)8(3)14-12(10)13(16)17-6-2/h14H,5-7H2,1-4H3