2,4,6-trinitro-N-phenyl-N-(trifluoromethyl)aniline

Systemtic Name: 2,4,6-trinitro-N-phenyl-N-(trifluoromethyl)aniline Openeye Name: 2,4,6-trinitro-N-phenyl-N-(trifluoromethyl)aniline CAS Name: 2,4,6-trinitro-N-phenyl-N-(trifluoromethyl)aniline IUPAC Name: 2,4,6-trinitro-N-phenyl-N-(trifluoromethyl)aniline Traditional Name: phenyl-picryl-(trifluoromethyl)amine Formula: C13H7F3N4O6 MolecularWeight: 372.21309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7F3N4O6/c14-13(15,16)17(8-4-2-1-3-5-8)12-10(19(23)24)6-9(18(21)22)7-11(12)20(25)26/h1-7H