(E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-bromanyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-bromo-4-oxo-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-bromo-4-keto-1H-quinazolin-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile Formula: C20H16BrN3O4 MolecularWeight: 442.26274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C20H16BrN3O4/c1-26-16-7-11(8-17(27-2)18(16)28-3)6-12(10-22)19-23-15-5-4-13(21)9-14(15)20(25)24-19/h4-9H,1-3H3,(H,23,24,25)/b12-6+