[(3S,4R,5R,6R)-4-azido-6-cyano-5-(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [(3S,4R,5R,6R)-4-azido-6-cyano-5-(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [(3S,4R,5R,6R)-4-azido-5-benzoyloxy-6-cyano-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3S,4R,5R,6R)-4-azido-5-benzoyloxy-6-cyano-3-oxanyl] ester IUPAC Name: [(3S,4R,5R,6R)-4-azido-5-benzoyloxy-6-cyanooxan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4R,5R,6R)-4-azido-5-benzoyloxy-6-cyano-tetrahydropyran-3-yl] ester Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(O1)C#N)OC(=O)C2=CC=CC=C2)N=[N+]=[N-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1[C@H]([C@H]([C@H]([C@H](O1)C#N)OC(=O)C2=CC=CC=C2)N=[N+]=[N-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H16N4O5/c21-11-15-18(29-20(26)14-9-5-2-6-10-14)17(23-24-22)16(12-27-15)28-19(25)13-7-3-1-4-8-13/h1-10,15-18H,12H2/t15-,16-,17-,18+/m1/s1