ethyl 3-[[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(2-methoxyethoxy)-5-(trifluoromethyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H19F3N2O7 MolecularWeight: 456.36927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N2O7/c1-3-31-19(27)13-8-12(9-15(10-13)25(28)29)18(26)24-16-11-14(20(21,22)23)4-5-17(16)32-7-6-30-2/h4-5,8-11H,3,6-7H2,1-2H3,(H,24,26)