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

Systemtic Name: [(1S,2R,4R,6E)-2-azido-6-hydroxyimino-4-oxidanyl-cyclohexyl] benzoate Openeye Name: [(1S,2R,4R,6E)-2-azido-4-hydroxy-6-hydroxyimino-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,4R,6E)-2-azido-4-hydroxy-6-hydroxyiminocyclohexyl] ester IUPAC Name: [(1S,2R,4R,6E)-2-azido-4-hydroxy-6-hydroxyiminocyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,4R,6E)-2-azido-6-hydroximino-4-hydroxy-cyclohexyl] ester Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=NO)C(C1N=[N+]=[N-])OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c14-17-15-10-6-9(18)7-11(16-20)12(10)21-13(19)8-4-2-1-3-5-8/h1-5,9-10,12,18,20H,6-7H2/b16-11+/t9-,10-,12+/m1/s1