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

Systemtic Name: 6-chloranyl-2-[(E)-1-cyano-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-2-(4-benzyloxy-3-methoxy-phenyl)-1-cyano-vinyl]-6-chloro-quinazolin-4-olate CAS Name: 6-chloro-2-[(E)-1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-quinazolinolate IUPAC Name: 6-chloro-2-[(E)-1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-2-(4-benzoxy-3-methoxy-phenyl)-1-cyano-vinyl]-6-chloro-quinazolin-4-olate Formula: C25H17ClN3O3- MolecularWeight: 442.87378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(C=C(C=C3)Cl)C(=N2)[O-])OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=C(C=C(C=C3)Cl)C(=N2)[O-])OCC4=CC=CC=C4

InChI

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