3-ethanoyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid

Systemtic Name: 3-ethanoyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Openeye Name: 3-acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid CAS Name: 3-acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid IUPAC Name: 3-acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Traditional Name: 3-acetyl-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Formula: C9H9NO5 MolecularWeight: 211.17146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO5/c1-3-5(4(2)11)7(9(14)15)10-6(3)8(12)13/h10H,1-2H3,(H,12,13)(H,14,15)