N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-4-fluoranyl-benzohydrazide

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-4-fluoranyl-benzohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-4-fluoro-benzohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-4-fluorobenzohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]-4-fluorobenzohydrazide Traditional Name: 4-fluoro-N'-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]benzohydrazide Formula: C19H15FN6O5 MolecularWeight: 426.358003

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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=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H15FN6O5/c20-13-4-2-12(3-5-13)19(27)25-24-18-16(26(28)29)17(22-9-23-18)21-8-11-1-6-14-15(7-11)31-10-30-14/h1-7,9H,8,10H2,(H,25,27)(H2,21,22,23,24)