2-[5-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzenecarbonitrile

Systemtic Name: 2-[5-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzenecarbonitrile Openeye Name: 2-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzonitrile CAS Name: 2-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furanyl]benzonitrile IUPAC Name: 2-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzonitrile Traditional Name: 2-[5-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzonitrile Formula: C17H10N4O5 MolecularWeight: 350.2851

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(O2)C=CC3=NC(=C(C(=O)N3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])O

InChI

InChI=1S/C17H10N4O5/c18-9-10-3-1-2-4-12(10)13-7-5-11(26-13)6-8-14-19-16(22)15(21(24)25)17(23)20-14/h1-8H,(H2,19,20,22,23)/b8-6+