2-(2-adamantyl)-4-chloranyl-6-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol

Systemtic Name: 2-(2-adamantyl)-4-chloranyl-6-[(1-methyl-5-nitro-imidazol-2-yl)-oxidanyl-methyl]phenol Openeye Name: 2-(2-adamantyl)-4-chloro-6-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol CAS Name: 2-(2-adamantyl)-4-chloro-6-[hydroxy-(1-methyl-5-nitro-2-imidazolyl)methyl]phenol IUPAC Name: 2-(2-adamantyl)-4-chloro-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol Traditional Name: 2-(2-adamantyl)-4-chloro-6-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]phenol Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4/c1-24-17(25(28)29)9-23-21(24)20(27)16-8-14(22)7-15(19(16)26)18-12-3-10-2-11(5-12)6-13(18)4-10/h7-13,18,20,26-27H,2-6H2,1H3