2-[(E)-2-(2-chloranyl-6-methoxy-quinolin-3-yl)-1-cyano-ethenyl]-6-methyl-quinazolin-4-olate

Systemtic Name: 2-[(E)-2-(2-chloranyl-6-methoxy-quinolin-3-yl)-1-cyano-ethenyl]-6-methyl-quinazolin-4-olate Openeye Name: 2-[(E)-2-(2-chloro-6-methoxy-3-quinolyl)-1-cyano-vinyl]-6-methyl-quinazolin-4-olate CAS Name: 2-[(E)-2-(2-chloro-6-methoxy-3-quinolinyl)-1-cyanoethenyl]-6-methyl-4-quinazolinolate IUPAC Name: 2-[(E)-2-(2-chloro-6-methoxyquinolin-3-yl)-1-cyanoethenyl]-6-methylquinazolin-4-olate Traditional Name: 2-[(E)-2-(2-chloro-6-methoxy-3-quinolyl)-1-cyano-vinyl]-6-methyl-quinazolin-4-olate Formula: C22H14ClN4O2- MolecularWeight: 401.82516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2[O-])C(=CC3=C(N=C4C=CC(=CC4=C3)OC)Cl)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2[O-])/C(=C/C3=C(N=C4C=CC(=CC4=C3)OC)Cl)/C#N

InChI

InChI=1S/C22H15ClN4O2/c1-12-3-5-19-17(7-12)22(28)27-21(26-19)15(11-24)9-14-8-13-10-16(29-2)4-6-18(13)25-20(14)23/h3-10H,1-2H3,(H,26,27,28)/p-1/b15-9+