2-[2-[(E)-2-cyano-2-(4-oxidanidylquinazolin-2-yl)ethenyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(E)-2-cyano-2-(4-oxidanidylquinazolin-2-yl)ethenyl]phenoxy]ethanoate Openeye Name: 2-[2-[(E)-2-cyano-2-(4-oxidoquinazolin-2-yl)vinyl]phenoxy]acetate CAS Name: 2-[2-[(E)-2-cyano-2-(4-oxido-2-quinazolinyl)ethenyl]phenoxy]acetate IUPAC Name: 2-[2-[(E)-2-cyano-2-(4-oxidoquinazolin-2-yl)ethenyl]phenoxy]acetate Traditional Name: 2-[2-[(E)-2-cyano-2-(4-oxidoquinazolin-2-yl)vinyl]phenoxy]acetate Formula: C19H11N3O4-2 MolecularWeight: 345.30834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13N3O4/c20-10-13(9-12-5-1-4-8-16(12)26-11-17(23)24)18-21-15-7-3-2-6-14(15)19(25)22-18/h1-9H,11H2,(H,23,24)(H,21,22,25)/p-2/b13-9+