4-ethanoyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-ethanoyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C10H13NO3 MolecularWeight: 195.21512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)C)C)C(=O)O

Isomeric SMILES

CCC1=C(NC(=C1C(=O)C)C)C(=O)O

InChI

InChI=1S/C10H13NO3/c1-4-7-8(6(3)12)5(2)11-9(7)10(13)14/h11H,4H2,1-3H3,(H,13,14)