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

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]-2-nitro-benzohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-2-nitrobenzohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]-2-nitrobenzohydrazide Traditional Name: 2-nitro-N'-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]benzohydrazide Formula: C19H15N7O7 MolecularWeight: 453.3651

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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=CC=C4[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H15N7O7/c27-19(12-3-1-2-4-13(12)25(28)29)24-23-18-16(26(30)31)17(21-9-22-18)20-8-11-5-6-14-15(7-11)33-10-32-14/h1-7,9H,8,10H2,(H,24,27)(H2,20,21,22,23)