4-nitro-N,N-bis[4-nitro-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline

Systemtic Name: 4-nitro-N,N-bis[4-nitro-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline Openeye Name: 4-nitro-N,N-bis[4-nitro-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline CAS Name: 4-nitro-N,N-bis[4-nitro-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline IUPAC Name: 4-nitro-N,N-bis[4-nitro-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline Traditional Name: tris[4-nitro-3-(trifluoromethyl)phenyl]amine Formula: C21H9F9N4O6 MolecularWeight: 584.304989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1N(C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H9F9N4O6/c22-19(23,24)13-7-10(1-4-16(13)32(35)36)31(11-2-5-17(33(37)38)14(8-11)20(25,26)27)12-3-6-18(34(39)40)15(9-12)21(28,29)30/h1-9H