tert-butyl (4S,5S,6S,7S)-7-azido-4-bromanyl-5-oxidanyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: tert-butyl (4S,5S,6S,7S)-7-azido-4-bromanyl-5-oxidanyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (4S,5S,6S,7S)-7-azido-4-bromo-5-hydroxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (4S,5S,6S,7S)-7-azido-4-bromo-5-hydroxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5S,6S,7S)-7-azido-4-bromo-5-hydroxy-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (4S,5S,6S,7S)-7-azido-4-bromo-5-hydroxy-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C12H15BrN4O4 MolecularWeight: 359.1759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(C(C2N1C(=O)C2N=[N+]=[N-])O)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=C[C@@H]([C@H]([C@H]2N1C(=O)[C@H]2N=[N+]=[N-])O)Br

InChI

InChI=1S/C12H15BrN4O4/c1-12(2,3)21-11(20)6-4-5(13)9(18)8-7(15-16-14)10(19)17(6)8/h4-5,7-9,18H,1-3H3/t5-,7-,8-,9+/m0/s1