2-[(E)-2-(5-bromanyl-2-fluoranyl-phenyl)-1-cyano-ethenyl]-7-chloranyl-quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(5-bromanyl-2-fluoranyl-phenyl)-1-cyano-ethenyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[(E)-2-(5-bromo-2-fluoro-phenyl)-1-cyano-vinyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[(E)-2-(5-bromo-2-fluorophenyl)-1-cyanoethenyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[(E)-2-(5-bromo-2-fluorophenyl)-1-cyanoethenyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[(E)-2-(5-bromo-2-fluoro-phenyl)-1-cyano-vinyl]-7-chloro-quinazolin-4-olate Formula: C17H7BrClFN3O- MolecularWeight: 403.612383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(N=C2[O-])C(=CC3=C(C=CC(=C3)Br)F)C#N

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(N=C2[O-])/C(=C/C3=C(C=CC(=C3)Br)F)/C#N

InChI

InChI=1S/C17H8BrClFN3O/c18-11-1-4-14(20)9(6-11)5-10(8-21)16-22-15-7-12(19)2-3-13(15)17(24)23-16/h1-7H,(H,22,23,24)/p-1/b10-5+