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

Systemtic Name: 5-nitro-6-oxidanylidene-2-[(E)-2-phenylethenyl]-1H-pyrimidin-4-olate Openeye Name: 5-nitro-6-oxo-2-[(E)-styryl]-1H-pyrimidin-4-olate CAS Name: 5-nitro-6-oxo-2-[(E)-2-phenylethenyl]-1H-pyrimidin-4-olate IUPAC Name: 5-nitro-6-oxo-2-[(E)-2-phenylethenyl]-1H-pyrimidin-4-olate Traditional Name: 6-keto-5-nitro-2-[(E)-styryl]-1H-pyrimidin-4-olate Formula: C12H8N3O4- MolecularWeight: 258.20962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O4/c16-11-10(15(18)19)12(17)14-9(13-11)7-6-8-4-2-1-3-5-8/h1-7H,(H2,13,14,16,17)/p-1/b7-6+