dimethyl 5-[2-nitro-4-(trifluoromethyl)phenoxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-nitro-4-(trifluoromethyl)phenoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-nitro-4-(trifluoromethyl)phenoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-nitro-4-(trifluoromethyl)phenoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-nitro-4-(trifluoromethyl)phenoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-nitro-4-(trifluoromethyl)phenoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H12F3NO7 MolecularWeight: 399.27489

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H12F3NO7/c1-26-15(22)9-5-10(16(23)27-2)7-12(6-9)28-14-4-3-11(17(18,19)20)8-13(14)21(24)25/h3-8H,1-2H3