[2,6-bis(azanyl)-5-nitro-pyrimidin-4-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2,6-bis(azanyl)-5-nitro-pyrimidin-4-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: (2,6-diamino-5-nitro-pyrimidin-4-yl) 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (2,6-diamino-5-nitro-4-pyrimidinyl) ester IUPAC Name: (2,6-diamino-5-nitropyrimidin-4-yl) 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (2,6-diamino-5-nitro-pyrimidin-4-yl) ester Formula: C12H9N5O6 MolecularWeight: 319.22976

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=NC(=NC(=C3[N+](=O)[O-])N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=NC(=NC(=C3[N+](=O)[O-])N)N

InChI

InChI=1S/C12H9N5O6/c13-9-8(17(19)20)10(16-12(14)15-9)23-11(18)5-1-2-6-7(3-5)22-4-21-6/h1-3H,4H2,(H4,13,14,15,16)