ethyl 3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(4-morpholinyl)-5-(trifluoromethyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-morpholino-5-(trifluoromethyl)phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H20F3N3O6 MolecularWeight: 467.39521

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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)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H20F3N3O6/c1-2-33-20(29)14-9-13(10-16(11-14)27(30)31)19(28)25-17-12-15(21(22,23)24)3-4-18(17)26-5-7-32-8-6-26/h3-4,9-12H,2,5-8H2,1H3,(H,25,28)