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

Systemtic Name: 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]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-quinazolinolate IUPAC Name: 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]quinazolin-4-olate Formula: C25H18N3O3- MolecularWeight: 408.42872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3O3/c1-30-23-14-18(11-12-22(23)31-16-17-7-3-2-4-8-17)13-19(15-26)24-27-21-10-6-5-9-20(21)25(29)28-24/h2-14H,16H2,1H3,(H,27,28,29)/p-1/b19-13+