diethyl 2-methyl-2-[4-nitro-3-(trifluoromethyl)phenyl]propanedioate

Systemtic Name: diethyl 2-methyl-2-[4-nitro-3-(trifluoromethyl)phenyl]propanedioate Openeye Name: diethyl 2-methyl-2-[4-nitro-3-(trifluoromethyl)phenyl]propanedioate CAS Name: 2-methyl-2-[4-nitro-3-(trifluoromethyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-methyl-2-[4-nitro-3-(trifluoromethyl)phenyl]propanedioate Traditional Name: 2-methyl-2-[4-nitro-3-(trifluoromethyl)phenyl]malonic acid diethyl ester Formula: C15H16F3NO6 MolecularWeight: 363.28585

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16F3NO6/c1-4-24-12(20)14(3,13(21)25-5-2)9-6-7-11(19(22)23)10(8-9)15(16,17)18/h6-8H,4-5H2,1-3H3