2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-1-cyano-ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-1-cyano-ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]-1-cyano-vinyl]quinazolin-4-olate CAS Name: 2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-cyanoethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-cyanoethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-2-[4-(4-chlorobenzyl)oxy-3-methoxy-phenyl]-1-cyano-vinyl]quinazolin-4-olate Formula: C25H17ClN3O3- MolecularWeight: 442.87378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3C(=N2)[O-])OCC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3C(=N2)[O-])OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H18ClN3O3/c1-31-23-13-17(8-11-22(23)32-15-16-6-9-19(26)10-7-16)12-18(14-27)24-28-21-5-3-2-4-20(21)25(30)29-24/h2-13H,15H2,1H3,(H,28,29,30)/p-1/b18-12+