ethyl 5-butanoyl-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-butanoyl-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-butanoyl-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-(1-oxobutyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-butanoyl-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-butyryl-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(N1)C)C(=O)OCC

Isomeric SMILES

CCCC(=O)C1=CC(=C(N1)C)C(=O)OCC

InChI

InChI=1S/C12H17NO3/c1-4-6-11(14)10-7-9(8(3)13-10)12(15)16-5-2/h7,13H,4-6H2,1-3H3