[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-keto-2-[2-nitro-4-(trifluoromethyl)anilino]ethyl] ester Formula: C17H12F4N2O6 MolecularWeight: 416.280593

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])F

InChI

InChI=1S/C17H12F4N2O6/c1-28-14-5-2-9(6-11(14)18)16(25)29-8-15(24)22-12-4-3-10(17(19,20)21)7-13(12)23(26)27/h2-7H,8H2,1H3,(H,22,24)