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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-(4-methyl-3-nitro-phenyl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(4-methyl-3-nitro-phenyl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(4-methyl-3-nitrophenyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-(4-methyl-3-nitrophenyl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-(4-methyl-3-nitro-phenyl)quinazolin-4-one Formula: C24H16IN3O5 MolecularWeight: 553.30541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC5=C(C=C4)OCO5)[N+](=O)[O-]

InChI

InChI=1S/C24H16IN3O5/c1-14-2-6-17(12-20(14)28(30)31)27-23(26-19-7-5-16(25)11-18(19)24(27)29)9-4-15-3-8-21-22(10-15)33-13-32-21/h2-12H,13H2,1H3/b9-4+