1,2-bis(3-nitro-1-adamantyl)guanidine

Systemtic Name: 1,2-bis(3-nitro-1-adamantyl)guanidine Openeye Name: 1,2-bis(3-nitro-1-adamantyl)guanidine CAS Name: 1,2-bis(3-nitro-1-adamantyl)guanidine IUPAC Name: 1,2-bis(3-nitro-1-adamantyl)guanidine Traditional Name: 1,2-bis(3-nitro-1-adamantyl)guanidine Formula: C21H31N5O4 MolecularWeight: 417.50194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)[N+](=O)[O-])NC(=NC45CC6CC(C4)CC(C6)(C5)[N+](=O)[O-])N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)[N+](=O)[O-])NC(=NC45CC6CC(C4)CC(C6)(C5)[N+](=O)[O-])N

InChI

InChI=1S/C21H31N5O4/c22-17(23-18-3-13-1-14(4-18)8-20(7-13,11-18)25(27)28)24-19-5-15-2-16(6-19)10-21(9-15,12-19)26(29)30/h13-16H,1-12H2,(H3,22,23,24)