[(1S,2R,4R,6E)-2-azido-4-oxidanyl-6-phenylmethoxyimino-cyclohexyl] benzoate

Systemtic Name: [(1S,2R,4R,6E)-2-azido-4-oxidanyl-6-phenylmethoxyimino-cyclohexyl] benzoate Openeye Name: [(1S,2R,4R,6E)-2-azido-6-benzyloxyimino-4-hydroxy-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,4R,6E)-2-azido-4-hydroxy-6-phenylmethoxyiminocyclohexyl] ester IUPAC Name: [(1S,2R,4R,6E)-2-azido-4-hydroxy-6-phenylmethoxyiminocyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,4R,6E)-2-azido-6-benzyloximino-4-hydroxy-cyclohexyl] ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=NOCC2=CC=CC=C2)C(C1N=[N+]=[N-])OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1[C@H](C/C(=N\OCC2=CC=CC=C2)/[C@H]([C@@H]1N=[N+]=[N-])OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H20N4O4/c21-24-22-17-11-16(25)12-18(23-27-13-14-7-3-1-4-8-14)19(17)28-20(26)15-9-5-2-6-10-15/h1-10,16-17,19,25H,11-13H2/b23-18+/t16-,17-,19+/m1/s1