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

Systemtic Name: tert-butyl (4R,5S,6S,7S)-5-acetyloxy-7-azido-4-bromanyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (4R,5S,6S,7S)-5-acetoxy-7-azido-4-bromo-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (4R,5S,6S,7S)-5-acetyloxy-7-azido-4-bromo-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,5S,6S,7S)-5-acetyloxy-7-azido-4-bromo-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (4R,5S,6S,7S)-5-acetoxy-7-azido-4-bromo-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C14H17BrN4O5 MolecularWeight: 401.21258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C=C(N2C1C(C2=O)N=[N+]=[N-])C(=O)OC(C)(C)C)Br

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](C=C(N2[C@H]1[C@@H](C2=O)N=[N+]=[N-])C(=O)OC(C)(C)C)Br

InChI

InChI=1S/C14H17BrN4O5/c1-6(20)23-11-7(15)5-8(13(22)24-14(2,3)4)19-10(11)9(12(19)21)17-18-16/h5,7,9-11H,1-4H3/t7-,9+,10+,11-/m1/s1