6-nitro-2-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one

Systemtic Name: 6-nitro-2-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one Openeye Name: 6-nitro-2-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one CAS Name: 6-nitro-2-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]-4-quinazolinone IUPAC Name: 6-nitro-2-propyl-3-[[2-(trifluoromethyl)phenyl]methyl]quinazolin-4-one Traditional Name: 6-nitro-2-propyl-3-[2-(trifluoromethyl)benzyl]quinazolin-4-one Formula: C19H16F3N3O3 MolecularWeight: 391.34385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H16F3N3O3/c1-2-5-17-23-16-9-8-13(25(27)28)10-14(16)18(26)24(17)11-12-6-3-4-7-15(12)19(20,21)22/h3-4,6-10H,2,5,11H2,1H3