ethyl 4-ethynyl-1,2,5-trimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-ethynyl-1,2,5-trimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 4-ethynyl-1,2,5-trimethyl-pyrrole-3-carboxylate CAS Name: 4-ethynyl-1,2,5-trimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethynyl-1,2,5-trimethylpyrrole-3-carboxylate Traditional Name: 4-ethynyl-1,2,5-trimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C#C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C#C)C)C)C

InChI

InChI=1S/C12H15NO2/c1-6-10-8(3)13(5)9(4)11(10)12(14)15-7-2/h1H,7H2,2-5H3