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

Systemtic Name: 2-[(E)-1-cyano-2-(3-methoxy-4-propoxy-phenyl)ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-(3-methoxy-4-propoxy-phenyl)vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-(3-methoxy-4-propoxyphenyl)ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-(3-methoxy-4-propoxyphenyl)ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-(3-methoxy-4-propoxy-phenyl)vinyl]quinazolin-4-olate Formula: C21H18N3O3- MolecularWeight: 360.38592

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3C(=N2)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3C(=N2)[O-])OC

InChI

InChI=1S/C21H19N3O3/c1-3-10-27-18-9-8-14(12-19(18)26-2)11-15(13-22)20-23-17-7-5-4-6-16(17)21(25)24-20/h4-9,11-12H,3,10H2,1-2H3,(H,23,24,25)/p-1/b15-11+