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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-2,4-bis(oxidanylidene)-1H-pyrimidin-6-olate Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1H-pyrimidin-6-olate CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1H-pyrimidin-6-olate IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxo-1H-pyrimidin-6-olate Traditional Name: 2,4-diketo-5-piperonyl-1H-pyrimidin-6-olate Formula: C12H9N2O5- MolecularWeight: 261.21026

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=C(NC(=O)NC3=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=C(NC(=O)NC3=O)[O-]

InChI

InChI=1S/C12H10N2O5/c15-10-7(11(16)14-12(17)13-10)3-6-1-2-8-9(4-6)19-5-18-8/h1-2,4H,3,5H2,(H3,13,14,15,16,17)/p-1