3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid

Systemtic Name: 3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Openeye Name: 3-(3-ethoxy-3-oxo-propyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid CAS Name: 3-(3-ethoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid IUPAC Name: 3-(3-ethoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Traditional Name: 3-(3-ethoxy-3-keto-propyl)-4-methyl-1H-pyrrole-2,5-dicarboxylic acid Formula: C12H15NO6 MolecularWeight: 269.2506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6/c1-3-19-8(14)5-4-7-6(2)9(11(15)16)13-10(7)12(17)18/h13H,3-5H2,1-2H3,(H,15,16)(H,17,18)