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

Systemtic Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide Openeye Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-pyrimidin-4-yl]naphthalene-1-carbohydrazide CAS Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitro-4-pyrimidinyl]-1-naphthalenecarbohydrazide IUPAC Name: N'-[6-(1,3-benzodioxol-5-ylmethylamino)-5-nitropyrimidin-4-yl]naphthalene-1-carbohydrazide Traditional Name: N'-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]naphthalene-1-carbohydrazide Formula: C23H18N6O5 MolecularWeight: 458.42622

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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=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NNC(=O)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C23H18N6O5/c30-23(17-7-3-5-15-4-1-2-6-16(15)17)28-27-22-20(29(31)32)21(25-12-26-22)24-11-14-8-9-18-19(10-14)34-13-33-18/h1-10,12H,11,13H2,(H,28,30)(H2,24,25,26,27)