2-(1,3-benzodioxol-5-yl)-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylate IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-keto-6-methyl-1H-pyrimidine-5-carboxylate Formula: C13H9N2O5- MolecularWeight: 273.22096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C2=CC3=C(C=C2)OCO3)C(=O)[O-]

InChI

InChI=1S/C13H10N2O5/c1-6-10(13(17)18)12(16)15-11(14-6)7-2-3-8-9(4-7)20-5-19-8/h2-4H,5H2,1H3,(H,17,18)(H,14,15,16)/p-1