6-(1,3-benzodioxol-5-ylamino)-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzodioxol-5-ylamino)-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzodioxol-5-ylamino)-5-nitro-1H-pyrimidin-4-one CAS Name: 6-(1,3-benzodioxol-5-ylamino)-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzodioxol-5-ylamino)-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(1,3-benzodioxol-5-ylamino)-5-nitro-1H-pyrimidin-4-one Formula: C11H8N4O5 MolecularWeight: 276.20502

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=O)N=CN3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=O)N=CN3)[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O5/c16-11-9(15(17)18)10(12-4-13-11)14-6-1-2-7-8(3-6)20-5-19-7/h1-4H,5H2,(H2,12,13,14,16)