1-[2,6-dinitro-4-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]urea Openeye Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]urea CAS Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]urea IUPAC Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]urea Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]urea Formula: C8H5F3N4O5 MolecularWeight: 294.14431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5F3N4O5/c9-8(10,11)3-1-4(14(17)18)6(13-7(12)16)5(2-3)15(19)20/h1-2H,(H3,12,13,16)