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

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C18H15F3N2O7 MolecularWeight: 428.31611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F3N2O7/c1-28-14-7-12(13(23(26)27)8-15(14)29-2)17(25)30-9-16(24)22-11-5-3-4-10(6-11)18(19,20)21/h3-8H,9H2,1-2H3,(H,22,24)