tert-butyl 2-acetyloxy-3-(1-bromoethyl)-4-methyl-5-oxidanylidene-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 2-acetyloxy-3-(1-bromoethyl)-4-methyl-5-oxidanylidene-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 2-acetoxy-3-(1-bromoethyl)-4-methyl-5-oxo-1H-pyrrole-2-carboxylate CAS Name: 2-acetyloxy-3-(1-bromoethyl)-4-methyl-5-oxo-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetyloxy-3-(1-bromoethyl)-4-methyl-5-oxo-1H-pyrrole-2-carboxylate Traditional Name: 2-acetoxy-3-(1-bromoethyl)-5-keto-4-methyl-3-pyrroline-2-carboxylic acid tert-butyl ester Formula: C14H20BrNO5 MolecularWeight: 362.2163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC1=O)(C(=O)OC(C)(C)C)OC(=O)C)C(C)Br

Isomeric SMILES

CC1=C(C(NC1=O)(C(=O)OC(C)(C)C)OC(=O)C)C(C)Br

InChI

InChI=1S/C14H20BrNO5/c1-7-10(8(2)15)14(16-11(7)18,20-9(3)17)12(19)21-13(4,5)6/h8H,1-6H3,(H,16,18)