butyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: butyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid butyl ester IUPAC Name: butyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid butyl ester Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C(=C(N1)C)C(=O)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(C(=C(N1)C)C(=O)C)C

InChI

InChI=1S/C13H19NO3/c1-5-6-7-17-13(16)12-8(2)11(10(4)15)9(3)14-12/h14H,5-7H2,1-4H3