7-chloranyl-3-[3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[3-(2-methoxy-4-prop-2-enyl-phenoxy)-2-oxidanyl-propyl]-6-nitro-quinazolin-4-one Openeye Name: 3-[3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-7-chloro-6-nitro-quinazolin-4-one CAS Name: 7-chloro-3-[2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-6-nitro-4-quinazolinone IUPAC Name: 7-chloro-3-[2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-6-nitroquinazolin-4-one Traditional Name: 3-[3-(4-allyl-2-methoxy-phenoxy)-2-hydroxy-propyl]-7-chloro-6-nitro-quinazolin-4-one Formula: C21H20ClN3O6 MolecularWeight: 445.853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CN2C=NC3=CC(=C(C=C3C2=O)[N+](=O)[O-])Cl)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(CN2C=NC3=CC(=C(C=C3C2=O)[N+](=O)[O-])Cl)O

InChI

InChI=1S/C21H20ClN3O6/c1-3-4-13-5-6-19(20(7-13)30-2)31-11-14(26)10-24-12-23-17-9-16(22)18(25(28)29)8-15(17)21(24)27/h3,5-9,12,14,26H,1,4,10-11H2,2H3