4-ethanoyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-ethanoyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carboxylic acid Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)C)C)C(=O)O

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)C)C)C(=O)O

InChI

InChI=1S/C11H15NO3/c1-4-5-8-9(7(3)13)6(2)12-10(8)11(14)15/h12H,4-5H2,1-3H3,(H,14,15)