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

Systemtic Name: 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitro-6-oxidanylidene-1H-pyrimidin-4-olate Openeye Name: 2-[(E)-2-(5-methyl-2-thienyl)vinyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate CAS Name: 2-[(E)-2-(5-methyl-2-thiophenyl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate IUPAC Name: 2-[(E)-2-(5-methylthiophen-2-yl)ethenyl]-5-nitro-6-oxo-1H-pyrimidin-4-olate Traditional Name: 6-keto-2-[(E)-2-(5-methyl-2-thienyl)vinyl]-5-nitro-1H-pyrimidin-4-olate Formula: C11H8N3O4S- MolecularWeight: 278.26392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(S1)/C=C/C2=NC(=C(C(=O)N2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H9N3O4S/c1-6-2-3-7(19-6)4-5-8-12-10(15)9(14(17)18)11(16)13-8/h2-5H,1H3,(H2,12,13,15,16)/p-1/b5-4+