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

Systemtic Name: 6-[(E)-2-(4-methanoylphenyl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(4-formylphenyl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(4-formylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(4-formylphenyl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(4-formylphenyl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C13H8N3O5- MolecularWeight: 286.21972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O5/c17-7-9-3-1-8(2-4-9)5-6-10-11(16(20)21)12(18)15-13(19)14-10/h1-7H,(H2,14,15,18,19)/p-1/b6-5+