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

Systemtic Name: 3,5-dimethyl-4-(4-oxidanyl-4-oxidanylidene-butyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(4-hydroxy-4-oxo-butyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(4-hydroxy-4-oxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(4-hydroxy-4-oxobutyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(4-hydroxy-4-keto-butyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C11H15NO4 MolecularWeight: 225.2411

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCCC(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1CCCC(=O)O)C)C(=O)O

InChI

InChI=1S/C11H15NO4/c1-6-8(4-3-5-9(13)14)7(2)12-10(6)11(15)16/h12H,3-5H2,1-2H3,(H,13,14)(H,15,16)