ethyl 4-ethanoyl-3-ethyl-5-(hydroxymethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-ethanoyl-3-ethyl-5-(hydroxymethyl)-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-acetyl-3-ethyl-5-(hydroxymethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3-ethyl-5-(hydroxymethyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-acetyl-3-ethyl-5-(hydroxymethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3-ethyl-5-methylol-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)C)CO)C(=O)OCC

Isomeric SMILES

CCC1=C(NC(=C1C(=O)C)CO)C(=O)OCC

InChI

InChI=1S/C12H17NO4/c1-4-8-10(7(3)15)9(6-14)13-11(8)12(16)17-5-2/h13-14H,4-6H2,1-3H3