6,7-dimethoxy-3-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]quinazolin-4-one Openeye Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-6,7-dimethoxy-quinazolin-4-one CAS Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-6,7-dimethoxy-4-quinazolinone IUPAC Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-6,7-dimethoxyquinazolin-4-one Traditional Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-6,7-dimethoxy-quinazolin-4-one Formula: C19H19N3O7 MolecularWeight: 401.37006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CC(COC3=CC=CC(=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C19H19N3O7/c1-27-17-7-15-16(8-18(17)28-2)20-11-21(19(15)24)9-13(23)10-29-14-5-3-4-12(6-14)22(25)26/h3-8,11,13,23H,9-10H2,1-2H3