2-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate

Systemtic Name: 2-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(3-hydroxyphenyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(3-hydroxyphenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 2-[(E)-2-(3-hydroxyphenyl)vinyl]-6-keto-5-nitro-1H-pyrimidin-4-olate Formula: C12H8N3O5- MolecularWeight: 274.20902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O5/c16-8-3-1-2-7(6-8)4-5-9-13-11(17)10(15(19)20)12(18)14-9/h1-6,16H,(H2,13,14,17,18)/p-1/b5-4+