5-ethyl-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-ethyl-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-ethyl-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-ethyl-3-methyl-4-(1-oxopropyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-ethyl-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-ethyl-3-methyl-4-propionyl-1H-pyrrole-2-carboxylic acid Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)O)C)C(=O)CC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)O)C)C(=O)CC

InChI

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