6-nitro-2-(5-nitro-2-oxidanyl-phenyl)-N4,N4'-bis(phenylmethyl)-1,3-benzodioxine-4,4-dicarboxamide

Systemtic Name: 6-nitro-2-(5-nitro-2-oxidanyl-phenyl)-N4,N4'-bis(phenylmethyl)-1,3-benzodioxine-4,4-dicarboxamide Openeye Name: N4,N4'-dibenzyl-2-(2-hydroxy-5-nitro-phenyl)-6-nitro-1,3-benzodioxine-4,4-dicarboxamide CAS Name: 2-(2-hydroxy-5-nitrophenyl)-6-nitro-N4,N4'-bis(phenylmethyl)-1,3-benzodioxin-4,4-dicarboxamide IUPAC Name: 4-N,4-N'-dibenzyl-2-(2-hydroxy-5-nitrophenyl)-6-nitro-1,3-benzodioxine-4,4-dicarboxamide Traditional Name: N,N'-dibenzyl-2-(2-hydroxy-5-nitro-phenyl)-6-nitro-1,3-benzodioxin-4,4-dicarboxamide Formula: C30H24N4O9 MolecularWeight: 584.53296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2(C3=C(C=CC(=C3)[N+](=O)[O-])OC(O2)C4=C(C=CC(=C4)[N+](=O)[O-])O)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2(C3=C(C=CC(=C3)[N+](=O)[O-])OC(O2)C4=C(C=CC(=C4)[N+](=O)[O-])O)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C30H24N4O9/c35-25-13-11-21(33(38)39)15-23(25)27-42-26-14-12-22(34(40)41)16-24(26)30(43-27,28(36)31-17-19-7-3-1-4-8-19)29(37)32-18-20-9-5-2-6-10-20/h1-16,27,35H,17-18H2,(H,31,36)(H,32,37)