5-methanoyl-4-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-methanoyl-4-methyl-3-(4-oxidanyl-4-oxidanylidene-butyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 5-formyl-3-(4-hydroxy-4-oxo-butyl)-4-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-formyl-3-(4-hydroxy-4-oxobutyl)-4-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-formyl-3-(4-hydroxy-4-oxobutyl)-4-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-formyl-3-(4-hydroxy-4-keto-butyl)-4-methyl-1H-pyrrole-2-carboxylic acid Formula: C11H13NO5 MolecularWeight: 239.22462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5/c1-6-7(3-2-4-9(14)15)10(11(16)17)12-8(6)5-13/h5,12H,2-4H2,1H3,(H,14,15)(H,16,17)