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

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-2-phenyl-ethanehydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-2-phenyl-acetohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-2-phenylacetohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]-2-phenylacetohydrazide Traditional Name: N'-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]-2-phenyl-acetohydrazide Formula: C20H18N6O5 MolecularWeight: 422.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O5/c27-17(9-13-4-2-1-3-5-13)24-25-20-18(26(28)29)19(22-11-23-20)21-10-14-6-7-15-16(8-14)31-12-30-15/h1-8,11H,9-10,12H2,(H,24,27)(H2,21,22,23,25)