N-(furan-2-ylmethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(2-furylmethyl)-3,5-dinitro-benzamide CAS Name: N-(2-furanylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(furan-2-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(2-furfuryl)-3,5-dinitro-benzamide Formula: C12H9N3O6 MolecularWeight: 291.21636

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O6/c16-12(13-7-11-2-1-3-21-11)8-4-9(14(17)18)6-10(5-8)15(19)20/h1-6H,7H2,(H,13,16)