[(1S,2S,5R)-5-methyl-6-oxabicyclo[3.1.0]hexan-2-yl] 4-nitrobenzoate

Systemtic Name: [(1S,2S,5R)-5-methyl-6-oxabicyclo[3.1.0]hexan-2-yl] 4-nitrobenzoate Openeye Name: [(1S,2S,5R)-5-methyl-6-oxabicyclo[3.1.0]hexan-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,2S,5R)-5-methyl-6-oxabicyclo[3.1.0]hexan-2-yl] ester IUPAC Name: [(1S,2S,5R)-5-methyl-6-oxabicyclo[3.1.0]hexan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,2S,5R)-5-methyl-6-oxabicyclo[3.1.0]hexan-2-yl] ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C1O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@]12CC[C@@H]([C@@H]1O2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO5/c1-13-7-6-10(11(13)19-13)18-12(15)8-2-4-9(5-3-8)14(16)17/h2-5,10-11H,6-7H2,1H3/t10-,11-,13+/m0/s1