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

Systemtic Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)-1-cyano-ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)-1-cyano-vinyl]quinazolin-4-olate CAS Name: 2-[(E)-2-(4-butoxy-3-methoxyphenyl)-1-cyanoethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-2-(4-butoxy-3-methoxyphenyl)-1-cyanoethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)-1-cyano-vinyl]quinazolin-4-olate Formula: C22H20N3O3- MolecularWeight: 374.4125

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3C(=N2)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3C(=N2)[O-])OC

InChI

InChI=1S/C22H21N3O3/c1-3-4-11-28-19-10-9-15(13-20(19)27-2)12-16(14-23)21-24-18-8-6-5-7-17(18)22(26)25-21/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25,26)/p-1/b16-12+