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

Systemtic Name: 3-[(4-bromophenyl)methyl]-6-nitro-2-propyl-quinazolin-4-one Openeye Name: 3-[(4-bromophenyl)methyl]-6-nitro-2-propyl-quinazolin-4-one CAS Name: 3-[(4-bromophenyl)methyl]-6-nitro-2-propyl-4-quinazolinone IUPAC Name: 3-[(4-bromophenyl)methyl]-6-nitro-2-propylquinazolin-4-one Traditional Name: 3-(4-bromobenzyl)-6-nitro-2-propyl-quinazolin-4-one Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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=C(C=C3)Br

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O3/c1-2-3-17-20-16-9-8-14(22(24)25)10-15(16)18(23)21(17)11-12-4-6-13(19)7-5-12/h4-10H,2-3,11H2,1H3