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

Systemtic Name: 4-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]benzonitrile CAS Name: 4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]benzonitrile IUPAC Name: 4-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]benzonitrile Traditional Name: 4-[(E)-2-(4-hydroxy-6-keto-5-nitro-1H-pyrimidin-2-yl)vinyl]benzonitrile Formula: C13H8N4O4 MolecularWeight: 284.22702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])O)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)C#N

InChI

InChI=1S/C13H8N4O4/c14-7-9-3-1-8(2-4-9)5-6-10-15-12(18)11(17(20)21)13(19)16-10/h1-6H,(H2,15,16,18,19)/b6-5+