3-[1-(3-nitrooxypropyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propyl nitrate

Systemtic Name: 3-[1-(3-nitrooxypropyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propyl nitrate Openeye Name: 3-[1-(3-nitrooxypropyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propyl nitrate CAS Name: nitric acid 3-[1-(3-nitrooxypropyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propyl ester IUPAC Name: 3-[1-(3-nitrooxypropyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propyl nitrate Traditional Name: nitric acid 3-[4-keto-1-(3-nitrooxypropyl)pyrazolo[3,4-d]pyrimidin-5-yl]propyl ester Formula: C11H14N6O7 MolecularWeight: 342.26486

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C2=C1C(=O)N(C=N2)CCCO[N+](=O)[O-])CCCO[N+](=O)[O-]

Isomeric SMILES

C1=NN(C2=C1C(=O)N(C=N2)CCCO[N+](=O)[O-])CCCO[N+](=O)[O-]

InChI

InChI=1S/C11H14N6O7/c18-11-9-7-13-15(4-2-6-24-17(21)22)10(9)12-8-14(11)3-1-5-23-16(19)20/h7-8H,1-6H2