[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[[4-chloranyl-3-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[4-chloro-3-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C14H8ClF3N2O6 MolecularWeight: 392.67133

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=C(O2)[N+](=O)[O-])C(F)(F)F)Cl

InChI

InChI=1S/C14H8ClF3N2O6/c15-9-2-1-7(5-8(9)14(16,17)18)19-11(21)6-25-13(22)10-3-4-12(26-10)20(23)24/h1-5H,6H2,(H,19,21)