(5E)-5-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate

Systemtic Name: (5E)-5-(1,3-benzodioxol-5-ylcarbonylhydrazinylidene)-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate Openeye Name: (5E)-5-(1,3-benzodioxole-5-carbonylhydrazono)-4,6-dioxo-1H-pyrimidin-2-olate CAS Name: (5E)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]-4,6-dioxo-1H-pyrimidin-2-olate IUPAC Name: (5E)-5-(1,3-benzodioxole-5-carbonylhydrazinylidene)-4,6-dioxo-1H-pyrimidin-2-olate Traditional Name: (5E)-4,6-diketo-5-(piperonyloylhydrazono)-1H-pyrimidin-2-olate Formula: C12H7N4O6- MolecularWeight: 303.20718

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NN=C3C(=O)NC(=NC3=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)N/N=C/3\C(=O)NC(=NC3=O)[O-]

InChI

InChI=1S/C12H8N4O6/c17-9(5-1-2-6-7(3-5)22-4-21-6)16-15-8-10(18)13-12(20)14-11(8)19/h1-3H,4H2,(H,16,17)(H2,13,14,18,19,20)/p-1