2-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]methyl]-3-methyl-butanoic acid

Systemtic Name: 2-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]methyl]-3-methyl-butanoic acid Openeye Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]-3-methyl-butanoic acid CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]-3-methylbutanoic acid IUPAC Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]-3-methylbutanoic acid Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)anilino]methyl]-3-methyl-butyric acid Formula: C13H14F3N3O6 MolecularWeight: 365.26197

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C(CNC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H14F3N3O6/c1-6(2)8(12(20)21)5-17-11-9(18(22)23)3-7(13(14,15)16)4-10(11)19(24)25/h3-4,6,8,17H,5H2,1-2H3,(H,20,21)