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

Systemtic Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C13H8N3O6- MolecularWeight: 302.21912

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=C(C(=O)N=C(N3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6/c17-12-11(16(19)20)8(14-13(18)15-12)3-1-7-2-4-9-10(5-7)22-6-21-9/h1-5H,6H2,(H2,14,15,17,18)/p-1/b3-1+