2-[4-(1-adamantyl)-2-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-(1-adamantyl)-2-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]phenoxy]ethanenitrile Openeye Name: 2-[4-(1-adamantyl)-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]phenoxy]acetonitrile CAS Name: 2-[4-(1-adamantyl)-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetonitrile IUPAC Name: 2-[4-(1-adamantyl)-2-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]phenoxy]acetonitrile Traditional Name: 2-[4-(1-adamantyl)-2-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]phenoxy]acetonitrile Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)OCC#N)C=CC5=NC(=C(C(=O)N5)[N+](=O)[O-])O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)OCC#N)/C=C/C5=NC(=C(C(=O)N5)[N+](=O)[O-])O

InChI

InChI=1S/C24H24N4O5/c25-5-6-33-19-3-2-18(24-11-14-7-15(12-24)9-16(8-14)13-24)10-17(19)1-4-20-26-22(29)21(28(31)32)23(30)27-20/h1-4,10,14-16H,6-9,11-13H2,(H2,26,27,29,30)/b4-1+