dimethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanedioate

Systemtic Name: dimethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanedioate Openeye Name: dimethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanedioate CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]propanedioate Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]malonic acid dimethyl ester Formula: C12H9F3N2O8 MolecularWeight: 366.20367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O8/c1-24-10(18)9(11(19)25-2)8-6(16(20)21)3-5(12(13,14)15)4-7(8)17(22)23/h3-4,9H,1-2H3