3-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-4H-pyrimidine-4,6-diol

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-4H-pyrimidine-4,6-diol Openeye Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-4H-pyrimidine-4,6-diol CAS Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-4H-pyrimidine-4,6-diol IUPAC Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-4H-pyrimidine-4,6-diol Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-methyl-5-nitro-4H-pyrimidine-4,6-diol Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(N1C2=CC3=C(C=C2)OCO3)O)[N+](=O)[O-])O

Isomeric SMILES

CC1=NC(=C(C(N1C2=CC3=C(C=C2)OCO3)O)[N+](=O)[O-])O

InChI

InChI=1S/C12H11N3O6/c1-6-13-11(16)10(15(18)19)12(17)14(6)7-2-3-8-9(4-7)21-5-20-8/h2-4,12,16-17H,5H2,1H3