4-cyano-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-olate

Systemtic Name: 4-cyano-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-olate Openeye Name: 4-cyano-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-olate CAS Name: 4-cyano-6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrimidinolate IUPAC Name: 4-cyano-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-olate Traditional Name: 4-cyano-6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-olate Formula: C13H8N3O3- MolecularWeight: 254.22092

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=NC(=NC(=C3)C#N)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=NC(=NC(=C3)C#N)[O-]

InChI

InChI=1S/C13H9N3O3/c14-7-9-6-10(16-13(17)15-9)8-1-2-11-12(5-8)19-4-3-18-11/h1-2,5-6H,3-4H2,(H,15,16,17)/p-1