[(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] adamantane-1-carboxylate

Systemtic Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] adamantane-1-carboxylate Openeye Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [(1R)-1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23N3O5/c1-12(18-22-23-19(29-18)16-2-4-17(5-3-16)24(26)27)28-20(25)21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,21?/m1/s1