N,N'-bis[2-nitro-4-(trifluoromethyl)phenyl]butane-1,4-diamine

Systemtic Name: N,N'-bis[2-nitro-4-(trifluoromethyl)phenyl]butane-1,4-diamine Openeye Name: N,N'-bis[2-nitro-4-(trifluoromethyl)phenyl]butane-1,4-diamine CAS Name: N,N'-bis[2-nitro-4-(trifluoromethyl)phenyl]butane-1,4-diamine IUPAC Name: N,N'-bis[2-nitro-4-(trifluoromethyl)phenyl]butane-1,4-diamine Traditional Name: 4-[2-nitro-4-(trifluoromethyl)anilino]butyl-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C18H16F6N4O4 MolecularWeight: 466.334459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCCCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H16F6N4O4/c19-17(20,21)11-3-5-13(15(9-11)27(29)30)25-7-1-2-8-26-14-6-4-12(18(22,23)24)10-16(14)28(31)32/h3-6,9-10,25-26H,1-2,7-8H2