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

Systemtic Name: [(1R,2R,4S,6E)-2-azido-6-(2-methoxy-2-oxidanylidene-ethylidene)-4-oxidanyl-cyclohexyl] benzoate Openeye Name: [(1R,2R,4S,6E)-2-azido-4-hydroxy-6-(2-methoxy-2-oxo-ethylidene)cyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R,4S,6E)-2-azido-4-hydroxy-6-(2-methoxy-2-oxoethylidene)cyclohexyl] ester IUPAC Name: [(1R,2R,4S,6E)-2-azido-4-hydroxy-6-(2-methoxy-2-oxoethylidene)cyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R,4S,6E)-2-azido-4-hydroxy-6-(2-keto-2-methoxy-ethylidene)cyclohexyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CC(CC(C1OC(=O)C2=CC=CC=C2)N=[N+]=[N-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-23-14(21)8-11-7-12(20)9-13(18-19-17)15(11)24-16(22)10-5-3-2-4-6-10/h2-6,8,12-13,15,20H,7,9H2,1H3/b11-8+/t12-,13+,15+/m0/s1