2-(2-adamantyl)-6-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol

Systemtic Name: 2-(2-adamantyl)-6-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol Openeye Name: 2-(2-adamantyl)-6-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol CAS Name: 2-(2-adamantyl)-6-[hydroxy-(1-methyl-5-nitro-2-imidazolyl)methyl]phenol IUPAC Name: 2-(2-adamantyl)-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol Traditional Name: 2-(2-adamantyl)-6-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C(C2=CC=CC(=C2O)C3C4CC5CC(C4)CC3C5)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C(C2=CC=CC(=C2O)C3C4CC5CC(C4)CC3C5)O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-23-17(24(27)28)10-22-21(23)20(26)16-4-2-3-15(19(16)25)18-13-6-11-5-12(8-13)9-14(18)7-11/h2-4,10-14,18,20,25-26H,5-9H2,1H3