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

Systemtic Name: dimethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate Openeye Name: dimethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate CAS Name: 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propanedioate Traditional Name: 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]malonic acid dimethyl ester Formula: C13H12F3NO6 MolecularWeight: 335.23269

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3NO6/c1-12(10(18)22-2,11(19)23-3)8-5-4-7(13(14,15)16)6-9(8)17(20)21/h4-6H,1-3H3