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

Systemtic Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-bromanyladamantane-1-carboxylate Openeye Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-bromoadamantane-1-carboxylate CAS Name: 3-bromo-1-adamantanecarboxylic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-bromoadamantane-1-carboxylate Traditional Name: 3-bromoadamantane-1-carboxylic acid 1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O5/c1-12(17-23-24-18(30-17)15-2-4-16(5-3-15)25(27)28)29-19(26)20-7-13-6-14(8-20)10-21(22,9-13)11-20/h2-5,12-14H,6-11H2,1H3