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

Systemtic Name: 3-nitro-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 3-nitro-N'-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide CAS Name: 3-nitro-N'-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 3-nitro-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 3-nitro-N'-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]benzohydrazide Formula: C16H17N7O6 MolecularWeight: 403.34948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N7O6/c24-16(10-3-1-4-11(7-10)22(25)26)21-20-15-13(23(27)28)14(18-9-19-15)17-8-12-5-2-6-29-12/h1,3-4,7,9,12H,2,5-6,8H2,(H,21,24)(H2,17,18,19,20)