ethyl 4-[6-iodanyl-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: ethyl 4-[6-iodanyl-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[6-iodo-2-[(E)-2-(m-tolyl)vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[6-iodo-4-keto-2-[(E)-2-(m-tolyl)vinyl]quinazolin-3-yl]benzoic acid ethyl ester Formula: C26H21IN2O3 MolecularWeight: 536.36101

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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=CC(=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H21IN2O3/c1-3-32-26(31)19-8-11-21(12-9-19)29-24(14-7-18-6-4-5-17(2)15-18)28-23-13-10-20(27)16-22(23)25(29)30/h4-16H,3H2,1-2H3/b14-7+