ethyl 3-ethynyl-4,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3-ethynyl-4,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-ethynyl-4,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3-ethynyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethynyl-4,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3-ethynyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C11H13NO2 MolecularWeight: 191.22642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO2/c1-5-9-7(3)8(4)12-10(9)11(13)14-6-2/h1,12H,6H2,2-4H3