[(1R,5S,6R)-5-azido-3-methoxycarbonyl-6-oxidanyl-cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1R,5S,6R)-5-azido-3-methoxycarbonyl-6-oxidanyl-cyclohex-3-en-1-yl] benzoate Openeye Name: [(1R,5S,6R)-5-azido-6-hydroxy-3-methoxycarbonyl-cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1R,5S,6R)-5-azido-6-hydroxy-3-methoxycarbonyl-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,5S,6R)-5-azido-6-hydroxy-3-methoxycarbonylcyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1R,5S,6R)-5-azido-3-carbomethoxy-6-hydroxy-cyclohex-3-en-1-yl] ester Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5/c1-22-14(20)10-7-11(17-18-16)13(19)12(8-10)23-15(21)9-5-3-2-4-6-9/h2-7,11-13,19H,8H2,1H3/t11-,12+,13+/m0/s1