[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C19H17F3N2O7 MolecularWeight: 442.34269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C19H17F3N2O7/c1-3-30-16-8-13(14(24(27)28)9-15(16)29-2)18(26)31-10-17(25)23-12-6-4-5-11(7-12)19(20,21)22/h4-9H,3,10H2,1-2H3,(H,23,25)