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

Systemtic Name: 4-(2-adamantyl)-2-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol Openeye Name: 4-(2-adamantyl)-2-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol CAS Name: 4-(2-adamantyl)-2-[hydroxy-(1-methyl-5-nitro-2-imidazolyl)methyl]phenol IUPAC Name: 4-(2-adamantyl)-2-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol Traditional Name: 4-(2-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)C3C4CC5CC(C4)CC3C5)O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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