2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-chloranyl-4-nitro-phenyl)-6-iodanyl-quinazolin-4-one

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-chloranyl-4-nitro-phenyl)-6-iodanyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(2-chloro-4-nitro-phenyl)-6-iodo-quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-chloro-4-nitrophenyl)-6-iodo-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-chloro-4-nitrophenyl)-6-iodoquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(2-chloro-4-nitro-phenyl)-6-iodo-quinazolin-4-one Formula: C23H13ClIN3O5 MolecularWeight: 573.72389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=C(C=C(C=C4)I)C(=O)N3C5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C(C=C4)I)C(=O)N3C5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H13ClIN3O5/c24-17-11-15(28(30)31)4-6-19(17)27-22(26-18-5-3-14(25)10-16(18)23(27)29)8-2-13-1-7-20-21(9-13)33-12-32-20/h1-11H,12H2/b8-2+