4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2,6-dimethoxy-phenolate

Systemtic Name: 4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2,6-dimethoxy-phenolate Openeye Name: 4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)vinyl]-2,6-dimethoxy-phenolate CAS Name: 4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-2,6-dimethoxyphenolate IUPAC Name: 4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]-2,6-dimethoxyphenolate Traditional Name: 4-[(E)-2-cyano-2-(4-keto-1H-quinazolin-2-yl)vinyl]-2,6-dimethoxy-phenolate Formula: C19H14N3O4- MolecularWeight: 348.33216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])OC)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])OC)/C=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H15N3O4/c1-25-15-8-11(9-16(26-2)17(15)23)7-12(10-20)18-21-14-6-4-3-5-13(14)19(24)22-18/h3-9,23H,1-2H3,(H,21,22,24)/p-1/b12-7+