4-bromanyl-2,2,5,5-tetramethyl-1-oxidanyl-pyrrole-3-carboxylate

Systemtic Name: 4-bromanyl-2,2,5,5-tetramethyl-1-oxidanyl-pyrrole-3-carboxylate Openeye Name: 4-bromo-1-hydroxy-2,2,5,5-tetramethyl-pyrrole-3-carboxylate CAS Name: 4-bromo-1-hydroxy-2,2,5,5-tetramethyl-3-pyrrolecarboxylate IUPAC Name: 4-bromo-1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate Traditional Name: 4-bromo-1-hydroxy-2,2,5,5-tetramethyl-3-pyrroline-3-carboxylate Formula: C9H13BrNO3- MolecularWeight: 263.10842

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(N1O)(C)C)Br)C(=O)[O-])C

Isomeric SMILES

CC1(C(=C(C(N1O)(C)C)Br)C(=O)[O-])C

InChI

InChI=1S/C9H14BrNO3/c1-8(2)5(7(12)13)6(10)9(3,4)11(8)14/h14H,1-4H3,(H,12,13)/p-1