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

Systemtic Name: 4-[6-iodanyl-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[6-iodo-2-[(E)-2-(m-tolyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[6-iodo-4-keto-2-[(E)-2-(m-tolyl)vinyl]quinazolin-3-yl]benzoic acid Formula: C24H17IN2O3 MolecularWeight: 508.30785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H17IN2O3/c1-15-3-2-4-16(13-15)5-12-22-26-21-11-8-18(25)14-20(21)23(28)27(22)19-9-6-17(7-10-19)24(29)30/h2-14H,1H3,(H,29,30)/b12-5+