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

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

Systemtic Name:2-(2-adamantyl)-4-methoxy-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]-4-methoxy-phenol
CAS Name:2-(2-adamantyl)-6-[hydroxy-(1-methyl-5-nitro-2-imidazolyl)methyl]-4-methoxyphenol
IUPAC Name:2-(2-adamantyl)-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]-4-methoxyphenol
Traditional Name:2-(2-adamantyl)-6-[hydroxy-(1-methyl-5-nitro-imidazol-2-yl)methyl]-4-methoxy-phenol
Formula: C22H27N3O5
MolecularWeight: 413.46688
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H27N3O5/c1-24-18(25(28)29)10-23-22(24)21(27)17-9-15(30-2)8-16(20(17)26)19-13-4-11-3-12(6-13)7-14(19)5-11/h8-14,19,21,26-27H,3-7H2,1-2H3


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