[(1S,2R,4R)-4-acetyloxy-2-azido-6-oxidanylidene-cyclohexyl] benzoate

Systemtic Name: [(1S,2R,4R)-4-acetyloxy-2-azido-6-oxidanylidene-cyclohexyl] benzoate Openeye Name: [(1S,2R,4R)-4-acetoxy-2-azido-6-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,4R)-4-acetyloxy-2-azido-6-oxocyclohexyl] ester IUPAC Name: [(1S,2R,4R)-4-acetyloxy-2-azido-6-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,4R)-4-acetoxy-2-azido-6-keto-cyclohexyl] ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C(C(=O)C1)OC(=O)C2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CC(=O)O[C@@H]1C[C@H]([C@@H](C(=O)C1)OC(=O)C2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C15H15N3O5/c1-9(19)22-11-7-12(17-18-16)14(13(20)8-11)23-15(21)10-5-3-2-4-6-10/h2-6,11-12,14H,7-8H2,1H3/t11-,12-,14+/m1/s1