2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl]quinazolin-4-olate CAS Name: 2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl]quinazolin-4-olate Formula: C20H16N3O4- MolecularWeight: 362.35874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C20H17N3O4/c1-25-16-9-12(10-17(26-2)18(16)27-3)8-13(11-21)19-22-15-7-5-4-6-14(15)20(24)23-19/h4-10H,1-3H3,(H,22,23,24)/p-1/b13-8+