N1,N2-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine

Systemtic Name: N1,N2-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine Openeye Name: N1,N2-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine CAS Name: N1,N2-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine IUPAC Name: 1-N,2-N-bis[2,6-dinitro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine Traditional Name: [2-[2,6-dinitro-4-(trifluoromethyl)anilino]phenyl]-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C20H10F6N6O8 MolecularWeight: 576.319219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])NC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H10F6N6O8/c21-19(22,23)9-5-13(29(33)34)17(14(6-9)30(35)36)27-11-3-1-2-4-12(11)28-18-15(31(37)38)7-10(20(24,25)26)8-16(18)32(39)40/h1-8,27-28H