ditert-butyl (1R,3R,6R)-6-nitro-5-oxidanylidene-4-azabicyclo[4.1.0]heptane-3,4-dicarboxylate

Systemtic Name: ditert-butyl (1R,3R,6R)-6-nitro-5-oxidanylidene-4-azabicyclo[4.1.0]heptane-3,4-dicarboxylate Openeye Name: ditert-butyl (1R,3R,6R)-6-nitro-5-oxo-4-azabicyclo[4.1.0]heptane-3,4-dicarboxylate CAS Name: (1R,3R,6R)-6-nitro-5-oxo-4-azabicyclo[4.1.0]heptane-3,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (1R,3R,6R)-6-nitro-5-oxo-4-azabicyclo[4.1.0]heptane-3,4-dicarboxylate Traditional Name: (1R,3R,6R)-5-keto-6-nitro-4-azabicyclo[4.1.0]heptane-3,4-dicarboxylic acid ditert-butyl ester Formula: C16H24N2O7 MolecularWeight: 356.37096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC2CC2(C(=O)N1C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@H]1C[C@@H]2C[C@@]2(C(=O)N1C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H24N2O7/c1-14(2,3)24-11(19)10-7-9-8-16(9,18(22)23)12(20)17(10)13(21)25-15(4,5)6/h9-10H,7-8H2,1-6H3/t9-,10-,16-/m1/s1