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

Systemtic Name: tert-butyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C13H21NO2 MolecularWeight: 223.31134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H21NO2/c1-7-10-8(2)9(3)14-11(10)12(15)16-13(4,5)6/h14H,7H2,1-6H3