4-(1-adamantyl)-2-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol

Systemtic Name: 4-(1-adamantyl)-2-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol Openeye Name: 4-(1-adamantyl)-2-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol CAS Name: 4-(1-adamantyl)-2-[hydroxy-(1-methyl-5-nitro-2-imidazolyl)methyl]phenol IUPAC Name: 4-(1-adamantyl)-2-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol Traditional Name: 4-(1-adamantyl)-2-[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=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C(C2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)O)O)[N+](=O)[O-]

InChI

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