3-[4-(4-methyl-2-nitro-phenoxy)butyl]quinazolin-4-one

Systemtic Name: 3-[4-(4-methyl-2-nitro-phenoxy)butyl]quinazolin-4-one Openeye Name: 3-[4-(4-methyl-2-nitro-phenoxy)butyl]quinazolin-4-one CAS Name: 3-[4-(4-methyl-2-nitrophenoxy)butyl]-4-quinazolinone IUPAC Name: 3-[4-(4-methyl-2-nitrophenoxy)butyl]quinazolin-4-one Traditional Name: 3-[4-(4-methyl-2-nitro-phenoxy)butyl]quinazolin-4-one Formula: C19H19N3O4 MolecularWeight: 353.37186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCN2C=NC3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4/c1-14-8-9-18(17(12-14)22(24)25)26-11-5-4-10-21-13-20-16-7-3-2-6-15(16)19(21)23/h2-3,6-9,12-13H,4-5,10-11H2,1H3