2-[(E)-2-(4-butoxyphenyl)-1-cyano-ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(4-butoxyphenyl)-1-cyano-ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-2-(4-butoxyphenyl)-1-cyano-vinyl]quinazolin-4-olate CAS Name: 2-[(E)-2-(4-butoxyphenyl)-1-cyanoethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-2-(4-butoxyphenyl)-1-cyanoethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-2-(4-butoxyphenyl)-1-cyano-vinyl]quinazolin-4-olate Formula: C21H18N3O2- MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2/c1-2-3-12-26-17-10-8-15(9-11-17)13-16(14-22)20-23-19-7-5-4-6-18(19)21(25)24-20/h4-11,13H,2-3,12H2,1H3,(H,23,24,25)/p-1/b16-13+