5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H14N6O7 MolecularWeight: 450.36116

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O7/c27-20-15-7-22-24(16-3-1-2-4-17(16)26(30)31)19(15)21-10-23(20)8-12-5-14(25(28)29)6-13-9-32-11-33-18(12)13/h1-7,10H,8-9,11H2