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

Systemtic Name: 4-chloranyl-N'-[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Openeye Name: 4-chloro-N'-[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide CAS Name: 4-chloro-N'-[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]-3-nitrobenzohydrazide IUPAC Name: 4-chloro-N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]-3-nitrobenzohydrazide Traditional Name: 4-chloro-N'-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]-3-nitro-benzohydrazide Formula: C16H12ClN7O6 MolecularWeight: 433.76278

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN7O6/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/h1-6,8H,7H2,(H,22,25)(H2,18,19,20,21)