ethyl 5-methanoyl-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 5-methanoyl-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 5-formyl-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylate CAS Name: 5-formyl-3-methyl-4-(1-oxopropyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-formyl-3-methyl-4-propanoyl-1H-pyrrole-2-carboxylate Traditional Name: 5-formyl-3-methyl-4-propionyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(NC(=C1C)C(=O)OCC)C=O

Isomeric SMILES

CCC(=O)C1=C(NC(=C1C)C(=O)OCC)C=O

InChI

InChI=1S/C12H15NO4/c1-4-9(15)10-7(3)11(12(16)17-5-2)13-8(10)6-14/h6,13H,4-5H2,1-3H3