4-(furan-2-ylmethylamino)-3,5-dinitro-benzoate

Systemtic Name: 4-(furan-2-ylmethylamino)-3,5-dinitro-benzoate Openeye Name: 4-(2-furylmethylamino)-3,5-dinitro-benzoate CAS Name: 4-(2-furanylmethylamino)-3,5-dinitrobenzoate IUPAC Name: 4-(furan-2-ylmethylamino)-3,5-dinitrobenzoate Traditional Name: 4-(2-furfurylamino)-3,5-dinitro-benzoate Formula: C12H8N3O7- MolecularWeight: 306.20782

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)CNC2=C(C=C(C=C2[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O7/c16-12(17)7-4-9(14(18)19)11(10(5-7)15(20)21)13-6-8-2-1-3-22-8/h1-5,13H,6H2,(H,16,17)/p-1