2-[(E)-2-(3-bromophenyl)-1-cyano-ethenyl]quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(3-bromophenyl)-1-cyano-ethenyl]quinazolin-4-olate Openeye Name: 2-[(E)-2-(3-bromophenyl)-1-cyano-vinyl]quinazolin-4-olate CAS Name: 2-[(E)-2-(3-bromophenyl)-1-cyanoethenyl]-4-quinazolinolate IUPAC Name: 2-[(E)-2-(3-bromophenyl)-1-cyanoethenyl]quinazolin-4-olate Traditional Name: 2-[(E)-2-(3-bromophenyl)-1-cyano-vinyl]quinazolin-4-olate Formula: C17H9BrN3O- MolecularWeight: 351.17686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C(=CC3=CC(=CC=C3)Br)C#N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)/C(=C/C3=CC(=CC=C3)Br)/C#N)[O-]

InChI

InChI=1S/C17H10BrN3O/c18-13-5-3-4-11(9-13)8-12(10-19)16-20-15-7-2-1-6-14(15)17(22)21-16/h1-9H,(H,20,21,22)/p-1/b12-8+