1-[(2S)-2-(1-adamantyl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone

Systemtic Name: 1-[(2S)-2-(1-adamantyl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone Openeye Name: 1-[(2S)-2-(1-adamantyl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone CAS Name: 1-[(2S)-2-(1-adamantyl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone IUPAC Name: 1-[(2S)-2-(1-adamantyl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone Traditional Name: 1-[(2S)-2-(1-adamantyl)-2-methyl-5-(3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N1[C@](OC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])(C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3O4/c1-13(25)23-20(2,21-10-14-6-15(11-21)8-16(7-14)12-21)28-19(22-23)17-4-3-5-18(9-17)24(26)27/h3-5,9,14-16H,6-8,10-12H2,1-2H3/t14?,15?,16?,20-,21?/m0/s1