ethyl 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodanyl-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-6-iodo-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-6-iodo-4-keto-quinazolin-3-yl]benzoic acid ethyl ester Formula: C26H19IN2O5 MolecularWeight: 566.34393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H19IN2O5/c1-2-32-26(31)17-5-8-19(9-6-17)29-24(28-21-10-7-18(27)14-20(21)25(29)30)12-4-16-3-11-22-23(13-16)34-15-33-22/h3-14H,2,15H2,1H3/b12-4+