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

Systemtic Name: 4-chloranyl-3-nitro-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide Openeye Name: 4-chloro-3-nitro-N'-[5-nitro-6-(tetrahydrofuran-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide CAS Name: 4-chloro-3-nitro-N'-[5-nitro-6-(2-oxolanylmethylamino)-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-chloro-3-nitro-N'-[5-nitro-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]benzohydrazide Traditional Name: 4-chloro-3-nitro-N'-[5-nitro-6-(tetrahydrofurfurylamino)pyrimidin-4-yl]benzohydrazide Formula: C16H16ClN7O6 MolecularWeight: 437.79454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN7O6/c17-11-4-3-9(6-12(11)23(26)27)16(25)22-21-15-13(24(28)29)14(19-8-20-15)18-7-10-2-1-5-30-10/h3-4,6,8,10H,1-2,5,7H2,(H,22,25)(H2,18,19,20,21)