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

Systemtic Name: 6-[(E)-2-(6-chloranyl-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-4-oxidanylidene-1H-pyrimidin-2-olate Openeye Name: 6-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)vinyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate CAS Name: 6-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate IUPAC Name: 6-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)ethenyl]-5-nitro-4-oxo-1H-pyrimidin-2-olate Traditional Name: 6-[(E)-2-(6-chloro-1,3-benzodioxol-5-yl)vinyl]-4-keto-5-nitro-1H-pyrimidin-2-olate Formula: C13H7ClN3O6- MolecularWeight: 336.66418

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClN3O6/c14-7-4-10-9(22-5-23-10)3-6(7)1-2-8-11(17(20)21)12(18)16-13(19)15-8/h1-4H,5H2,(H2,15,16,18,19)/p-1/b2-1+