2-[(E)-2-(2-chloranylquinolin-3-yl)-1-cyano-ethenyl]-6-iodanyl-quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(2-chloranylquinolin-3-yl)-1-cyano-ethenyl]-6-iodanyl-quinazolin-4-olate Openeye Name: 2-[(E)-2-(2-chloro-3-quinolyl)-1-cyano-vinyl]-6-iodo-quinazolin-4-olate CAS Name: 2-[(E)-2-(2-chloro-3-quinolinyl)-1-cyanoethenyl]-6-iodo-4-quinazolinolate IUPAC Name: 2-[(E)-2-(2-chloroquinolin-3-yl)-1-cyanoethenyl]-6-iodoquinazolin-4-olate Traditional Name: 2-[(E)-2-(2-chloro-3-quinolyl)-1-cyano-vinyl]-6-iodo-quinazolin-4-olate Formula: C20H9ClIN4O- MolecularWeight: 483.66913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)C=C(C#N)C3=NC4=C(C=C(C=C4)I)C(=N3)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)/C=C(\C#N)/C3=NC4=C(C=C(C=C4)I)C(=N3)[O-]

InChI

InChI=1S/C20H10ClIN4O/c21-18-12(7-11-3-1-2-4-16(11)24-18)8-13(10-23)19-25-17-6-5-14(22)9-15(17)20(27)26-19/h1-9H,(H,25,26,27)/p-1/b13-8+