[(1R,2S,6R)-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-2-yl] 4-nitrobenzoate

Systemtic Name: [(1R,2S,6R)-5-oxidanylidene-7-oxabicyclo[4.1.0]hept-3-en-2-yl] 4-nitrobenzoate Openeye Name: [(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] ester IUPAC Name: [(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2S,6R)-5-keto-7-oxabicyclo[4.1.0]hept-3-en-2-yl] ester Formula: C13H9NO6 MolecularWeight: 275.21366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C2C(C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O2

Isomeric SMILES

C1=CC(=O)[C@H]2[C@@H]([C@H]1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O2

InChI

InChI=1S/C13H9NO6/c15-9-5-6-10(12-11(9)20-12)19-13(16)7-1-3-8(4-2-7)14(17)18/h1-6,10-12H/t10-,11-,12+/m0/s1