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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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