[(1R,2R)-2-nitrooxycyclohexyl] 2-oxidanylidene-2-phenyl-ethanoate

Systemtic Name: [(1R,2R)-2-nitrooxycyclohexyl] 2-oxidanylidene-2-phenyl-ethanoate Openeye Name: [(1R,2R)-2-nitrooxycyclohexyl] 2-oxo-2-phenyl-acetate CAS Name: 2-oxo-2-phenylacetic acid [(1R,2R)-2-nitrooxycyclohexyl] ester IUPAC Name: [(1R,2R)-2-nitrooxycyclohexyl] 2-oxo-2-phenylacetate Traditional Name: 2-keto-2-phenyl-acetic acid [(1R,2R)-2-nitrooxycyclohexyl] ester Formula: C14H15NO6 MolecularWeight: 293.272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OC(=O)C(=O)C2=CC=CC=C2)O[N+](=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)OC(=O)C(=O)C2=CC=CC=C2)O[N+](=O)[O-]

InChI

InChI=1S/C14H15NO6/c16-13(10-6-2-1-3-7-10)14(17)20-11-8-4-5-9-12(11)21-15(18)19/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m1/s1