N1',N7'-ditert-butyl-4,4-dicyano-N1,N7-bis(4-nitrophenyl)heptanediimidamide

Systemtic Name: N1',N7'-ditert-butyl-4,4-dicyano-N1,N7-bis(4-nitrophenyl)heptanediimidamide Openeye Name: N1',N7'-ditert-butyl-4,4-dicyano-N1,N7-bis(4-nitrophenyl)heptanediamidine CAS Name: N1',N7'-ditert-butyl-4,4-dicyano-N1,N7-bis(4-nitrophenyl)heptanediimidamide IUPAC Name: 1-N',7-N'-ditert-butyl-4,4-dicyano-1-N,7-N-bis(4-nitrophenyl)heptanediimidamide Traditional Name: N1',N7'-ditert-butyl-4,4-dicyano-N1,N7-bis(4-nitrophenyl)pimelamidine Formula: C29H36N8O4 MolecularWeight: 560.64734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(CCC(CCC(=NC(C)(C)C)NC1=CC=C(C=C1)[N+](=O)[O-])(C#N)C#N)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N=C(CCC(CCC(=NC(C)(C)C)NC1=CC=C(C=C1)[N+](=O)[O-])(C#N)C#N)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C29H36N8O4/c1-27(2,3)34-25(32-21-7-11-23(12-8-21)36(38)39)15-17-29(19-30,20-31)18-16-26(35-28(4,5)6)33-22-9-13-24(14-10-22)37(40)41/h7-14H,15-18H2,1-6H3,(H,32,34)(H,33,35)