(4-aminocarbonyl-2-nitro-phenyl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate CAS Name: 5-[3-(trifluoromethyl)phenyl]-2-furancarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate Traditional Name: 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H13F3N2O6 MolecularWeight: 434.32223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H13F3N2O6/c21-20(22,23)14-3-1-2-11(8-14)16-6-7-17(31-16)19(27)30-10-13-5-4-12(18(24)26)9-15(13)25(28)29/h1-9H,10H2,(H2,24,26)