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

Systemtic Name: 5-(2-carboxy-3-oxidanyl-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid Openeye Name: 5-(2-carboxy-3-hydroxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid CAS Name: 5-(2-carboxy-3-hydroxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid IUPAC Name: 5-(2-carboxy-3-hydroxy-3-oxopropyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid Traditional Name: 5-(2-carboxy-3-hydroxy-3-keto-propyl)-3-methyl-1H-pyrrole-2,4-dicarboxylic acid Formula: C11H11NO8 MolecularWeight: 285.20694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO8/c1-3-6(10(17)18)5(12-7(3)11(19)20)2-4(8(13)14)9(15)16/h4,12H,2H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)