N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]furan-2-carbohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-2-furancarbohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]furan-2-carbohydrazide Traditional Name: N'-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]-2-furohydrazide Formula: C17H14N6O6 MolecularWeight: 398.32966

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC(=O)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC(=O)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O6/c24-17(12-2-1-5-27-12)22-21-16-14(23(25)26)15(19-8-20-16)18-7-10-3-4-11-13(6-10)29-9-28-11/h1-6,8H,7,9H2,(H,22,24)(H2,18,19,20,21)