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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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