tert-butyl 2-(1-oxidanylprop-2-ynyl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(1-oxidanylprop-2-ynyl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(1-hydroxyprop-2-ynyl)pyrrole-1-carboxylate CAS Name: 2-(1-hydroxyprop-2-ynyl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-hydroxyprop-2-ynyl)pyrrole-1-carboxylate Traditional Name: 2-(1-hydroxyprop-2-ynyl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C(C#C)O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C(C#C)O

InChI

InChI=1S/C12H15NO3/c1-5-10(14)9-7-6-8-13(9)11(15)16-12(2,3)4/h1,6-8,10,14H,2-4H3