3-[[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl]-7-fluoranyl-quinazolin-4-one

Systemtic Name: 3-[[4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-phenyl]methyl]-7-fluoranyl-quinazolin-4-one Openeye Name: 3-[[4-(difluoromethoxy)-5-methoxy-2-nitro-phenyl]methyl]-7-fluoro-quinazolin-4-one CAS Name: 3-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-7-fluoro-4-quinazolinone IUPAC Name: 3-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]-7-fluoroquinazolin-4-one Traditional Name: 3-[4-(difluoromethoxy)-5-methoxy-2-nitro-benzyl]-7-fluoro-quinazolin-4-one Formula: C17H12F3N3O5 MolecularWeight: 395.28949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=C(C2=O)C=CC(=C3)F)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=C(C2=O)C=CC(=C3)F)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C17H12F3N3O5/c1-27-14-4-9(13(23(25)26)6-15(14)28-17(19)20)7-22-8-21-12-5-10(18)2-3-11(12)16(22)24/h2-6,8,17H,7H2,1H3