4-[2-[(E)-2-[4-(cyanomethoxy)-3-methoxy-phenyl]ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate

Systemtic Name: 4-[2-[(E)-2-[4-(cyanomethoxy)-3-methoxy-phenyl]ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoate Openeye Name: 4-[2-[(E)-2-[4-(cyanomethoxy)-3-methoxy-phenyl]vinyl]-4-oxo-quinazolin-3-yl]benzoate CAS Name: 4-[2-[(E)-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl]-4-oxo-3-quinazolinyl]benzoate IUPAC Name: 4-[2-[(E)-2-[4-(cyanomethoxy)-3-methoxyphenyl]ethenyl]-4-oxoquinazolin-3-yl]benzoate Traditional Name: 4-[2-[(E)-2-[4-(cyanomethoxy)-3-methoxy-phenyl]vinyl]-4-keto-quinazolin-3-yl]benzoate Formula: C26H18N3O5- MolecularWeight: 452.43822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)[O-])OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)[O-])OCC#N

InChI

InChI=1S/C26H19N3O5/c1-33-23-16-17(6-12-22(23)34-15-14-27)7-13-24-28-21-5-3-2-4-20(21)25(30)29(24)19-10-8-18(9-11-19)26(31)32/h2-13,16H,15H2,1H3,(H,31,32)/p-1/b13-7+