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

Systemtic Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)-1-cyano-ethenyl]-6-chloranyl-quinazolin-4-olate Openeye Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)-1-cyano-vinyl]-6-chloro-quinazolin-4-olate CAS Name: 2-[(E)-2-(4-butoxy-3-methoxyphenyl)-1-cyanoethenyl]-6-chloro-4-quinazolinolate IUPAC Name: 2-[(E)-2-(4-butoxy-3-methoxyphenyl)-1-cyanoethenyl]-6-chloroquinazolin-4-olate Traditional Name: 2-[(E)-2-(4-butoxy-3-methoxy-phenyl)-1-cyano-vinyl]-6-chloro-quinazolin-4-olate Formula: C22H19ClN3O3- MolecularWeight: 408.85756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=C(C=C(C=C3)Cl)C(=N2)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=C(C=C(C=C3)Cl)C(=N2)[O-])OC

InChI

InChI=1S/C22H20ClN3O3/c1-3-4-9-29-19-8-5-14(11-20(19)28-2)10-15(13-24)21-25-18-7-6-16(23)12-17(18)22(27)26-21/h5-8,10-12H,3-4,9H2,1-2H3,(H,25,26,27)/p-1/b15-10+