2-[(E)-2-(2-chloranylquinolin-3-yl)-1-cyano-ethenyl]-6,8-dimethyl-quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(2-chloranylquinolin-3-yl)-1-cyano-ethenyl]-6,8-dimethyl-quinazolin-4-olate Openeye Name: 2-[(E)-2-(2-chloro-3-quinolyl)-1-cyano-vinyl]-6,8-dimethyl-quinazolin-4-olate CAS Name: 2-[(E)-2-(2-chloro-3-quinolinyl)-1-cyanoethenyl]-6,8-dimethyl-4-quinazolinolate IUPAC Name: 2-[(E)-2-(2-chloroquinolin-3-yl)-1-cyanoethenyl]-6,8-dimethylquinazolin-4-olate Traditional Name: 2-[(E)-2-(2-chloro-3-quinolyl)-1-cyano-vinyl]-6,8-dimethyl-quinazolin-4-olate Formula: C22H14ClN4O- MolecularWeight: 385.82576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=NC(=N2)C(=CC3=CC4=CC=CC=C4N=C3Cl)C#N)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=NC(=N2)/C(=C/C3=CC4=CC=CC=C4N=C3Cl)/C#N)[O-])C

InChI

InChI=1S/C22H15ClN4O/c1-12-7-13(2)19-17(8-12)22(28)27-21(26-19)16(11-24)10-15-9-14-5-3-4-6-18(14)25-20(15)23/h3-10H,1-2H3,(H,26,27,28)/p-1/b16-10+