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

Systemtic Name: diethyl 2-ethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate Openeye Name: diethyl 2-ethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate CAS Name: 2-ethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-ethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate Traditional Name: 2-ethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]malonic acid diethyl ester Formula: C16H18F3NO6 MolecularWeight: 377.31243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F3NO6/c1-4-15(13(21)25-5-2,14(22)26-6-3)11-8-7-10(16(17,18)19)9-12(11)20(23)24/h7-9H,4-6H2,1-3H3