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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C19H17F3N2O5 MolecularWeight: 410.34389

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O5/c20-19(21,22)14-3-1-2-13(10-14)12-29-18(25)16-11-15(24(26)27)4-5-17(16)23-6-8-28-9-7-23/h1-5,10-11H,6-9,12H2