N,N'-bis(2-nitro-4,5-dioctoxy-phenyl)ethanediamide

Systemtic Name: N,N'-bis(2-nitro-4,5-dioctoxy-phenyl)ethanediamide Openeye Name: N,N'-bis(2-nitro-4,5-dioctoxy-phenyl)oxamide CAS Name: N,N'-bis(2-nitro-4,5-dioctoxyphenyl)oxamide IUPAC Name: N,N'-bis(2-nitro-4,5-dioctoxyphenyl)oxamide Traditional Name: N,N'-bis(2-nitro-4,5-dioctoxy-phenyl)oxamide Formula: C46H74N4O10 MolecularWeight: 843.10056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)NC(=O)C(=O)NC2=CC(=C(C=C2[N+](=O)[O-])OCCCCCCCC)OCCCCCCCC)[N+](=O)[O-])OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)NC(=O)C(=O)NC2=CC(=C(C=C2[N+](=O)[O-])OCCCCCCCC)OCCCCCCCC)[N+](=O)[O-])OCCCCCCCC

InChI

InChI=1S/C46H74N4O10/c1-5-9-13-17-21-25-29-57-41-33-37(39(49(53)54)35-43(41)59-31-27-23-19-15-11-7-3)47-45(51)46(52)48-38-34-42(58-30-26-22-18-14-10-6-2)44(36-40(38)50(55)56)60-32-28-24-20-16-12-8-4/h33-36H,5-32H2,1-4H3,(H,47,51)(H,48,52)