2-[(E)-2-[5-(1-adamantyl)-2-(cyanomethoxy)phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-[5-(1-adamantyl)-2-(cyanomethoxy)phenyl]ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-[5-(1-adamantyl)-2-(cyanomethoxy)phenyl]vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-[5-(1-adamantyl)-2-(cyanomethoxy)phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-[5-(1-adamantyl)-2-(cyanomethoxy)phenyl]ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-[5-(1-adamantyl)-2-(cyanomethoxy)phenyl]vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C24H23N4O5- MolecularWeight: 447.46322

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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)/p-1/b4-1+