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

Systemtic Name: [(1S,2R,4R)-2-azido-4-(oxan-2-yloxy)-6-oxidanylidene-cyclohexyl] benzoate Openeye Name: [(1S,2R,4R)-2-azido-6-oxo-4-tetrahydropyran-2-yloxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,4R)-2-azido-4-(2-oxanyloxy)-6-oxocyclohexyl] ester IUPAC Name: [(1S,2R,4R)-2-azido-4-(oxan-2-yloxy)-6-oxocyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,4R)-2-azido-6-keto-4-tetrahydropyran-2-yloxy-cyclohexyl] ester Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OC2CC(C(C(=O)C2)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

C1CCOC(C1)O[C@@H]2C[C@H]([C@@H](C(=O)C2)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C18H21N3O5/c19-21-20-14-10-13(25-16-8-4-5-9-24-16)11-15(22)17(14)26-18(23)12-6-2-1-3-7-12/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,16?,17+/m1/s1