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

Systemtic Name: 6-chloranyl-2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-4-olate Openeye Name: 6-chloro-2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl]quinazolin-4-olate CAS Name: 6-chloro-2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]-4-quinazolinolate IUPAC Name: 6-chloro-2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]quinazolin-4-olate Traditional Name: 6-chloro-2-[(E)-1-cyano-2-(3,4,5-trimethoxyphenyl)vinyl]quinazolin-4-olate Formula: C20H15ClN3O4- MolecularWeight: 396.8038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C2=NC3=C(C=C(C=C3)Cl)C(=N2)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C2=NC3=C(C=C(C=C3)Cl)C(=N2)[O-]

InChI

InChI=1S/C20H16ClN3O4/c1-26-16-7-11(8-17(27-2)18(16)28-3)6-12(10-22)19-23-15-5-4-13(21)9-14(15)20(25)24-19/h4-9H,1-3H3,(H,23,24,25)/p-1/b12-6+