1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-(2-methyl-5-nitro-phenyl)urea

Systemtic Name: 1-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-3-(2-methyl-5-nitro-phenyl)urea Openeye Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methyl-5-nitro-phenyl)urea CAS Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methyl-5-nitrophenyl)urea IUPAC Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methyl-5-nitrophenyl)urea Traditional Name: 1-[2,6-dinitro-4-(trifluoromethyl)anilino]-3-(2-methyl-5-nitro-phenyl)urea Formula: C15H11F3N6O7 MolecularWeight: 444.27905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H11F3N6O7/c1-7-2-3-9(22(26)27)6-10(7)19-14(25)21-20-13-11(23(28)29)4-8(15(16,17)18)5-12(13)24(30)31/h2-6,20H,1H3,(H2,19,21,25)