O1-tert-butyl O3-methyl 4-(2-bromanylethanoyl)-5-propyl-pyrrole-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-methyl 4-(2-bromanylethanoyl)-5-propyl-pyrrole-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-methyl 4-(2-bromoacetyl)-5-propyl-pyrrole-1,3-dicarboxylate CAS Name: 4-(2-bromo-1-oxoethyl)-5-propylpyrrole-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester IUPAC Name: 1-O-tert-butyl 3-O-methyl 4-(2-bromoacetyl)-5-propylpyrrole-1,3-dicarboxylate Traditional Name: 4-(2-bromoacetyl)-5-propyl-pyrrole-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CN1C(=O)OC(C)(C)C)C(=O)OC)C(=O)CBr

Isomeric SMILES

CCCC1=C(C(=CN1C(=O)OC(C)(C)C)C(=O)OC)C(=O)CBr

InChI

InChI=1S/C16H22BrNO5/c1-6-7-11-13(12(19)8-17)10(14(20)22-5)9-18(11)15(21)23-16(2,3)4/h9H,6-8H2,1-5H3