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

Systemtic Name: tert-butyl (4R,5R,6S,7S)-7-azido-4,5-bis(chloranyl)-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: tert-butyl (4R,5R,6S,7S)-7-azido-4,5-dichloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (4R,5R,6S,7S)-7-azido-4,5-dichloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4R,5R,6S,7S)-7-azido-4,5-dichloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (4R,5R,6S,7S)-7-azido-4,5-dichloro-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester Formula: C12H14Cl2N4O3 MolecularWeight: 333.17056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl2N4O3/c1-12(2,3)21-11(20)6-4-5(13)7(14)9-8(16-17-15)10(19)18(6)9/h4-5,7-9H,1-3H3/t5-,7+,8+,9-/m1/s1