2-[(Z)-1-chloranyl-2-(4-methoxy-3-propoxy-phenyl)ethenyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-methoxy-3-propoxy-phenyl)ethenyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxy-phenyl)vinyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[(Z)-1-chloro-2-(4-methoxy-3-propoxyphenyl)ethenyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 7-carbomethoxy-2-[(Z)-1-chloro-2-(4-methoxy-3-propoxy-phenyl)vinyl]quinazolin-4-olate Formula: C22H20ClN2O5- MolecularWeight: 427.8576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(C2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-])Cl)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(/C2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-])\Cl)OC

InChI

InChI=1S/C22H21ClN2O5/c1-4-9-30-19-11-13(5-8-18(19)28-2)10-16(23)20-24-17-12-14(22(27)29-3)6-7-15(17)21(26)25-20/h5-8,10-12H,4,9H2,1-3H3,(H,24,25,26)/p-1/b16-10-