N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]hexanediamide

Systemtic Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]hexanediamide Openeye Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]hexanediamide CAS Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]hexanediamide IUPAC Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]hexanediamide Traditional Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]adipamide Formula: C22H20N6O10 MolecularWeight: 528.4284

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)CCCCC(=O)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)[N+](=O)[O-])/C=N/NC(=O)CCCCC(=O)N/N=C/C3=CC4=C(OCO4)C=C3[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O10/c29-21(25-23-9-13-5-17-19(37-11-35-17)7-15(13)27(31)32)3-1-2-4-22(30)26-24-10-14-6-18-20(38-12-36-18)8-16(14)28(33)34/h5-10H,1-4,11-12H2,(H,25,29)(H,26,30)/b23-9+,24-10+