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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-3-methyl-quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-methyl-quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-methyl-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-3-methylquinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-3-methyl-quinazolin-4-one Formula: C18H13IN2O3 MolecularWeight: 432.21189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C1=O)C=C(C=C2)I)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NC2=C(C1=O)C=C(C=C2)I)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H13IN2O3/c1-21-17(20-14-5-4-12(19)9-13(14)18(21)22)7-3-11-2-6-15-16(8-11)24-10-23-15/h2-9H,10H2,1H3/b7-3+