(4-nitrophenyl)methyl (2S,5R)-7-oxidanylidene-6-oxa-1-azabicyclo[3.2.1]octane-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,5R)-7-oxidanylidene-6-oxa-1-azabicyclo[3.2.1]octane-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octane-2-carboxylate CAS Name: (2S,5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octane-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (2S,5R)-7-keto-6-oxa-1-azabicyclo[3.2.1]octane-2-carboxylic acid (4-nitrobenzyl) ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N2CC1OC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](N2C[C@@H]1OC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6/c17-13(12-6-5-11-7-15(12)14(18)22-11)21-8-9-1-3-10(4-2-9)16(19)20/h1-4,11-12H,5-8H2/t11-,12+/m1/s1