[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [4-(difluoromethoxy)-3-methoxy-benzyl] ester Formula: C20H20F2N2O7 MolecularWeight: 438.378806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)OC(F)F

InChI

InChI=1S/C20H20F2N2O7/c1-28-18-10-13(2-5-17(18)31-20(21)22)12-30-19(25)15-11-14(24(26)27)3-4-16(15)23-6-8-29-9-7-23/h2-5,10-11,20H,6-9,12H2,1H3