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

Systemtic Name: N'-[6-(furan-2-ylmethylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Openeye Name: N'-[6-(2-furylmethylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide CAS Name: N'-[6-(2-furanylmethylamino)-5-nitro-4-pyrimidinyl]-4-nitrobenzohydrazide IUPAC Name: N'-[6-(furan-2-ylmethylamino)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide Traditional Name: N'-[6-(2-furfurylamino)-5-nitro-pyrimidin-4-yl]-4-nitro-benzohydrazide Formula: C16H13N7O6 MolecularWeight: 399.31772

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N7O6/c24-16(10-3-5-11(6-4-10)22(25)26)21-20-15-13(23(27)28)14(18-9-19-15)17-8-12-2-1-7-29-12/h1-7,9H,8H2,(H,21,24)(H2,17,18,19,20)