[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[3,5-bis(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C15H8F6N2O6 MolecularWeight: 426.224239

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C15H8F6N2O6/c16-14(17,18)7-3-8(15(19,20)21)5-9(4-7)22-11(24)6-28-13(25)10-1-2-12(29-10)23(26)27/h1-5H,6H2,(H,22,24)