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

Systemtic Name: ethyl 4-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-iodanyl-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: ethyl 4-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-iodo-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-iodo-4-oxo-3-quinazolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-6-iodo-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-6-iodo-4-keto-quinazolin-3-yl]benzoic acid ethyl ester Formula: C27H24IN3O3 MolecularWeight: 565.40223

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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=C(C=C4)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H24IN3O3/c1-4-34-27(33)19-8-13-22(14-9-19)31-25(16-7-18-5-11-21(12-6-18)30(2)3)29-24-15-10-20(28)17-23(24)26(31)32/h5-17H,4H2,1-3H3/b16-7+