[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 2-methoxy-5-nitro-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C17H13F3N2O6 MolecularWeight: 398.29013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N2O6/c1-27-14-7-6-12(22(25)26)8-13(14)16(24)28-9-15(23)21-11-4-2-10(3-5-11)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)