3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propane-1,2-diol

Systemtic Name: 3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propane-1,2-diol Openeye Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]propane-1,2-diol CAS Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]propane-1,2-diol IUPAC Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]propane-1,2-diol Traditional Name: 3-[2,6-dinitro-4-(trifluoromethyl)anilino]propane-1,2-diol Formula: C10H10F3N3O6 MolecularWeight: 325.19811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10F3N3O6/c11-10(12,13)5-1-7(15(19)20)9(8(2-5)16(21)22)14-3-6(18)4-17/h1-2,6,14,17-18H,3-4H2