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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-(3-nitrophenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-nitrophenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(3-nitrophenyl)quinazolin-4-one Formula: C23H14IN3O5 MolecularWeight: 539.27883

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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=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H14IN3O5/c24-15-6-7-19-18(11-15)23(28)26(16-2-1-3-17(12-16)27(29)30)22(25-19)9-5-14-4-8-20-21(10-14)32-13-31-20/h1-12H,13H2/b9-5+