[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O5/c21-20-8-12-5-13(9-20)7-19(6-12,11-20)18(25)28-10-16-22-23-17(29-16)14-1-3-15(4-2-14)24(26)27/h1-4,12-13H,5-11H2/t12-,13+,19?,20?