[(E)-but-2-enyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(E)-but-2-enyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [(E)-but-2-enyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [(E)-but-2-enyl] ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC(=O)C1=C(C(=C(N1)C)C(=O)C)C

Isomeric SMILES

C/C=C/COC(=O)C1=C(C(=C(N1)C)C(=O)C)C

InChI

InChI=1S/C13H17NO3/c1-5-6-7-17-13(16)12-8(2)11(10(4)15)9(3)14-12/h5-6,14H,7H2,1-4H3/b6-5+