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

Systemtic Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pentanediamide Openeye Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pentanediamide CAS Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pentanediamide IUPAC Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pentanediamide Traditional Name: N,N'-bis[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]glutaramide Formula: C21H18N6O10 MolecularWeight: 514.40182

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H18N6O10/c28-20(24-22-8-12-4-16-18(36-10-34-16)6-14(12)26(30)31)2-1-3-21(29)25-23-9-13-5-17-19(37-11-35-17)7-15(13)27(32)33/h4-9H,1-3,10-11H2,(H,24,28)(H,25,29)/b22-8+,23-9+