2-[4-[(Z)-2-chloranyl-2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(Z)-2-chloranyl-2-(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[(Z)-2-chloro-2-(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)ethenyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[(Z)-2-chloro-2-(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)vinyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H18ClN3O5 MolecularWeight: 427.83772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)Cl)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)\Cl)OCC#N

InChI

InChI=1S/C21H18ClN3O5/c1-27-17-9-12(4-5-16(17)30-7-6-23)8-14(22)20-24-15-11-19(29-3)18(28-2)10-13(15)21(26)25-20/h4-5,8-11H,7H2,1-3H3,(H,24,25,26)/b14-8-