2-[(E)-2-(5-bromanyl-2-methoxy-phenyl)-1-cyano-ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(5-bromanyl-2-methoxy-phenyl)-1-cyano-ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-2-(5-bromo-2-methoxy-phenyl)-1-cyano-vinyl]quinazolin-4-olate CAS Name: 2-[(E)-2-(5-bromo-2-methoxyphenyl)-1-cyanoethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-2-(5-bromo-2-methoxyphenyl)-1-cyanoethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-2-(5-bromo-2-methoxy-phenyl)-1-cyano-vinyl]quinazolin-4-olate Formula: C18H11BrN3O2- MolecularWeight: 381.20284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C(C#N)C2=NC3=CC=CC=C3C(=N2)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C(\C#N)/C2=NC3=CC=CC=C3C(=N2)[O-]

InChI

InChI=1S/C18H12BrN3O2/c1-24-16-7-6-13(19)9-11(16)8-12(10-20)17-21-15-5-3-2-4-14(15)18(23)22-17/h2-9H,1H3,(H,21,22,23)/p-1/b12-8+