ethyl 4-(4-chloranylbut-1-ynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(4-chloranylbut-1-ynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(4-chlorobut-1-ynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-chlorobut-1-ynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorobut-1-ynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-chlorobut-1-ynyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO2/c1-4-17-13(16)12-9(2)11(10(3)15-12)7-5-6-8-14/h15H,4,6,8H2,1-3H3