3,5-dimethyl-4-(3-oxidanyl-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-4-(3-oxidanyl-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3-hydroxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(3-hydroxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3-hydroxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3-hydroxy-3-keto-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C10H13NO4 MolecularWeight: 212.207175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1CC[13C](=O)O)C)C(=O)O

InChI

InChI=1S/C10H13NO4/c1-5-7(3-4-8(12)13)6(2)11-9(5)10(14)15/h11H,3-4H2,1-2H3,(H,12,13)(H,14,15)/i8+1